Thursday, January 3, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 5-[[17-(4,5-dihydroxy-1,5-dimethyl-hexyl)-2,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxo-pentanoic acid
CAS Name: 5-[[17-(5,6-dihydroxy-6-methylheptan-2-yl)-2,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
IUPAC NAME: 5-[[17-(5,6-dihydroxy-6-methylheptan-2-yl)-2,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
SYSTEMATIC NAME: 3-methyl-3-oxidanyl-5-oxidanylidene-5-[[4,4,10,13,14-pentamethyl-17-[6-methyl-5,6-bis(oxidanyl)heptan-2-yl]-2,12-bis(oxidanyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]pentanoic acid
MOLECULAR FORMULA: C36H60O9
MOLECULAR WEIGHT: 636.8562
SMILES: CC(CCC(C(C)(C)O)O)C1CCC2(C1(C(CC3=C2CCC4C3(CC(C(C4(C)C)OC(=O)CC(C)(CC(=O)O)O)O)C)O)C)C
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Product OPENEYE NAME: 1,7-diphenylheptane-3,5-diol
CAS Name: 1,7-diphenylheptane-3,5-diol
IUPAC NAME: 1,7-diphenylheptane-3,5-diol
SYSTEMATIC NAME: 1,7-diphenylheptane-3,5-diol
MOLECULAR FORMULA: C19H24O2
MOLECULAR WEIGHT: 284.39266
SMILES: C1=CC=C(C=C1)CCC(CC(CCC2=CC=CC=C2)O)O
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Product OPENEYE NAME: [5-formyl-4,8-dihydroxy-3-(1-methoxycarbonylvinyl)-8a-methyl-decalin-2-yl] 3,4-dihydroxy-2-methylene-butanoate
CAS Name: 3,4-dihydroxy-2-methylenebutanoic acid [5-formyl-4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-yl] ester
IUPAC NAME: [5-formyl-4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate
SYSTEMATIC NAME: [5-methanoyl-3-(3-methoxy-3-oxidanylidene-prop-1-en-2-yl)-8a-methyl-4,8-bis(oxidanyl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-yl] 2-methylidene-3,4-bis(oxidanyl)butanoate
MOLECULAR FORMULA: C21H30O9
MOLECULAR WEIGHT: 426.4575
SMILES: CC12CC(C(C(C1C(CCC2O)C=O)O)C(=C)C(=O)OC)OC(=O)C(=C)C(CO)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H22O6
MOLECULAR WEIGHT: 310.34228
SMILES: CC12CC(C3C(/C=C(/CCC1O2)\C=O)OC(=O)C3COC)O
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Product OPENEYE NAME: 2-[2-(3,4-dihydroxy-2-methylene-butanoyl)oxy-7-(hydroxymethyl)-4-methylene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-1-yl]prop-2-enoic acid
CAS Name: 2-[2-(3,4-dihydroxy-2-methylene-1-oxobutoxy)-7-(hydroxymethyl)-4-methylene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-1-yl]-2-propenoic acid
IUPAC NAME: 2-[2-(3,4-dihydroxy-2-methylidenebutanoyl)oxy-7-(hydroxymethyl)-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-1-yl]prop-2-enoic acid
SYSTEMATIC NAME: 2-[7-(hydroxymethyl)-4-methylidene-2-[2-methylidene-3,4-bis(oxidanyl)butanoyl]oxy-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-1-yl]prop-2-enoic acid
MOLECULAR FORMULA: C20H26O7
MOLECULAR WEIGHT: 378.41624
SMILES: C=C1CC(C(C2C1CCC(=C2)CO)C(=C)C(=O)O)OC(=O)C(=C)C(CO)O
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Product OPENEYE NAME: 6-[(4aR,5R,6aS,6bR,10S,12aR,14bS)-10-[4-[4-[3,5-dihydroxy-4-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-3,5-dihydroxy-tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1
CAS Name: 6-[[(4aR,5R,6aS,6bR,10S,12aR,14bS)-10-[[4-[[4-[[3,5-dihydroxy-4-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-3,5-dihydroxy-2-oxanyl]oxy]-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tet
IUPAC NAME: 6-[(4aR,5R,6aS,6bR,10S,12aR,14bS)-10-[4-[4-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahyd
SYSTEMATIC NAME: 6-[[(4aR,5R,6aS,6bR,10S,12aR,14bS)-10-[4-[4-[3,5-bis(oxidanyl)-4-[3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-5-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,
MOLECULAR FORMULA: C57H90O26
MOLECULAR WEIGHT: 1191.3089
SMILES: CC1C(C(C(C(O1)O[C@H]2CC[C@]3(C(C2(C)C)CC[C@@]4(C3CC=C5[C@]4(C[C@H]([C@@]6([C@H]5CC(CC6)(C)C)C(=O)OC7C(C(C(C(O7)C(=O)O)O)O)O)O)C)C)C)O)OC8C(C(C(CO8)O)OC9C(C(C(CO9)O)OC1C(C(C(CO1)O)O)O)O)O)O
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Product OPENEYE NAME: [2-(1-hydroxy-1-methyl-ethyl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 3-methylbut-2-enoate
CAS Name: 3-methyl-2-butenoic acid [2-(2-hydroxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g][1]benzopyran-3-yl] ester
IUPAC NAME: [2-(2-hydroxypropan-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 3-methylbut-2-enoate
SYSTEMATIC NAME: [7-oxidanylidene-2-(2-oxidanylpropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-3-yl] 3-methylbut-2-enoate
MOLECULAR FORMULA: C19H20O6
MOLECULAR WEIGHT: 344.3585
SMILES: CC(=CC(=O)OC1C(OC2=C1C=C3C=CC(=O)OC3=C2)C(C)(C)O)C
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Product OPENEYE NAME: 9-hydroxy-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
CAS Name: 9-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
IUPAC NAME: 9-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
SYSTEMATIC NAME: 1,4a-dimethyl-9-oxidanyl-7-(2-oxidanylpropan-2-yl)-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
MOLECULAR FORMULA: C20H28O4
MOLECULAR WEIGHT: 332.43392
SMILES: CC12CCCC(C1CC(C3=C2C=CC(=C3)C(C)(C)O)O)(C)C(=O)O
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Product OPENEYE NAME: methyl (1S,4aS,7aS)-4'-[(1S)-1-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethyl]-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-spiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
CAS Name: (1S,4aS,7aS)-4'-[(1S)-1-[(Z)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]ethyl]-5'-oxo-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-spiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]carboxylic acid methyl ester
IUPAC NAME: methyl (1S,4aS,7aS)-4'-[(1S)-1-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethyl]-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
SYSTEMATIC NAME: methyl (1S,4aS,7aS)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4'-[(1S)-1-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethyl]-5'-oxidanylidene-spiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
MOLECULAR FORMULA: C30H32O14
MOLECULAR WEIGHT: 616.56668
SMILES: C[C@@H](C1=CC2(C=C[C@H]3[C@@H]2[C@@H](OC=C3C(=O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC1=O)OC(=O)/C=C\C5=CC=C(C=C5)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H25NO3
MOLECULAR WEIGHT: 327.4174
SMILES: CC12CC(=O)C[C@]34C1[C@@H]5C[C@]67C3C([C@H](C(C6C4N5C2)O)C(=C)C7)O
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Product OPENEYE NAME: [(3aR,5R,5aR,8aR,9aR)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] 2-methylprop-2-enoate
CAS Name: 2-methyl-2-propenoic acid [(3aR,5R,5aR,8aR,9aR)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] ester
IUPAC NAME: [(3aR,5R,5aR,8aR,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] 2-methylprop-2-enoate
SYSTEMATIC NAME: [(3aR,5R,5aR,8aR,9aR)-5,8a-dimethyl-1-methylidene-2,8-bis(oxidanylidene)-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] 2-methylprop-2-enoate
MOLECULAR FORMULA: C19H22O5
MOLECULAR WEIGHT: 330.37498
SMILES: C[C@@H]1C[C@@H]2[C@H](C([C@]3([C@H]1C=CC3=O)C)OC(=O)C(=C)C)C(=C)C(=O)O2
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Product OPENEYE NAME: (1R,3aR,5R,5aR,8aR,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione
CAS Name: (1R,3aR,5R,5aR,8aR,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione
IUPAC NAME: (1R,3aR,5R,5aR,8aR,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione
SYSTEMATIC NAME: (1R,3aR,5R,5aR,8aR,9aS)-1,5,8a-trimethyl-9-oxidanyl-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: C[C@@H]1C[C@@H]2[C@@H]([C@H](C(=O)O2)C)C([C@]3([C@H]1C=CC3=O)C)O
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H32O7
MOLECULAR WEIGHT: 396.47458
SMILES: CC1CC2C3C(CCCC3(C14CCC5(O4)C(C(OC5O)OC)O)C)(C(=O)O2)C
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Product OPENEYE NAME: 2-[3-acetoxy-14-(acetoxymethyl)-12,16-dihydroxy-4,10,13-trimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxycarbonyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-4-oxo-hept-5-enoic acid
CAS Name: 2-[3-acetyloxy-14-(acetyloxymethyl)-12,16-dihydroxy-4,10,13-trimethyl-4-[oxo-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]methyl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-4-oxo-5-heptenoic acid
IUPAC NAME: 2-[3-acetyloxy-14-(acetyloxymethyl)-12,16-dihydroxy-4,10,13-trimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-4-oxohept-5-enoic acid
SYSTEMATIC NAME: 2-[3-acetyloxy-14-(acetyloxymethyl)-4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxycarbonyl-4,10,13-trimethyl-12,16-bis(oxidanyl)-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-4-oxidanylidene-hept-5-enoic acid
MOLECULAR FORMULA: C40H58O16
MOLECULAR WEIGHT: 794.87892
SMILES: CC(=CC(=O)CC(C1C(CC2(C1(C(CC3C2=CCC4C3(CCC(C4(C)C(=O)OC5C(C(C(C(O5)CO)O)O)O)OC(=O)C)C)O)C)COC(=O)C)O)C(=O)O)C
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Product OPENEYE NAME: (2S,3S,4S,4bS,10aR)-2,4b,8,8-tetramethyl-2-vinyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-3,4,10a-triol
CAS Name: (2S,3S,4S,4bS,10aR)-2-ethenyl-2,4b,8,8-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-3,4,10a-triol
IUPAC NAME: (2S,3S,4S,4bS,10aR)-2-ethenyl-2,4b,8,8-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-3,4,10a-triol
SYSTEMATIC NAME: (2S,3S,4S,4bS,10aR)-2-ethenyl-2,4b,8,8-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-3,4,10a-triol
MOLECULAR FORMULA: C20H34O3
MOLECULAR WEIGHT: 322.48216
SMILES: C[C@]12CCCC(C1CC[C@@]3(C2[C@@H]([C@H]([C@](C3)(C)C=C)O)O)O)(C)C
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Product OPENEYE NAME: (2R,3R,4S,5S,6R)-2-[[(3S,6S,8R,10R,12R,13R,14R,17S)-17-[(1S)-1,5-dimethyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hex-4-enyl]-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclop
CAS Name: (2R,3R,4S,5S,6R)-2-[[(3S,6S,8R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phe
IUPAC NAME: (2R,3R,4S,5S,6R)-2-[[(3S,6S,8R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phena
SYSTEMATIC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,6S,8R,10R,12R,13R,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-3,12-bis(oxidanyl)-2,3,5,6,7,9,11,12,13,15,16,17-dodeca
MOLECULAR FORMULA: C42H72O14
MOLECULAR WEIGHT: 801.01268
SMILES: CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](CC3[C@]2(C[C@@H](C4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C
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Product OPENEYE NAME: methyl 2-[2-[(Z)-pent-2-enyl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclopentyl]acetate
CAS Name: 2-[2-[(Z)-pent-2-enyl]-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]cyclopentyl]acetic acid methyl ester
IUPAC NAME: methyl 2-[2-[(Z)-pent-2-enyl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopentyl]acetate
SYSTEMATIC NAME: methyl 2-[3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]ethanoate
MOLECULAR FORMULA: C19H32O8
MOLECULAR WEIGHT: 388.45258
SMILES: CC/C=C\CC1C(CCC1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC(=O)OC
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Product OPENEYE NAME: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(
CAS Name: (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(
IUPAC NAME: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(h
SYSTEMATIC NAME: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-[[(3S,5R,6S,8R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-3,12-bis(oxidanyl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahy
MOLECULAR FORMULA: C42H72O14
MOLECULAR WEIGHT: 801.01268
SMILES: CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](CC3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)C)O)C
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Product OPENEYE NAME: (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,5R,8R,10R,12R,13R,14R,17S)-17-[1,5-dimethyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hex-4-enyl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahyd
CAS Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3S,5R,8R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hept-5-en-2-yl]-2,3,5,6,7,9,11
IUPAC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3S,5R,8R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,1
SYSTEMATIC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-6-[[(3S,5R,8R,10R,12R,13R,14R,17S)-17-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-12-oxidanyl-2,3,5,6,7,9,11,12,13,15,16,
MOLECULAR FORMULA: C48H82O18
MOLECULAR WEIGHT: 947.15388
SMILES: CC(=CCCC(C)([C@H]1CC[C@@]2([C@@H]1[C@@H](CC3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C
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Product OPENEYE NAME: (2R,3R,4S,5S,6R)-2-[[(3S,8R,10R,12R,13R,14R,17S)-17-[(1S)-1-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-1,5-dimethyl-hex-4-enyl]-12-hydroxy-4,4,8,10,14-pentam
CAS Name: (2R,3R,4S,5S,6R)-2-[[(3S,8R,10R,12R,13R,14R,17S)-17-[(2S)-2-[[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4,5-trihydroxy-2-oxanyl]oxy]-6-methylhept-5-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11
IUPAC NAME: (2R,3R,4S,5S,6R)-2-[[(3S,8R,10R,12R,13R,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,1
SYSTEMATIC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,8R,10R,12R,13R,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-
MOLECULAR FORMULA: C47H80O17
MOLECULAR WEIGHT: 917.1279
SMILES: CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](CC3[C@]2(CCC4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H](O7)CO)O)O)O)O)O)C
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