Thursday, January 3, 2013

All Chemical Compounds Information



Product OPENEYE NAME: methyl 4-hydroxy-2-[[2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrobenzofuran-5-yl]methyl]-3-(4-hydroxyphenyl)-5-oxo-furan-2-carboxylate
CAS Name: 4-hydroxy-3-(4-hydroxyphenyl)-2-[[2-(2-hydroxypropan-2-yl)-2,3-dihydrobenzofuran-5-yl]methyl]-5-oxo-2-furancarboxylic acid methyl ester
IUPAC NAME: methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[[2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methyl]-5-oxofuran-2-carboxylate
SYSTEMATIC NAME: methyl 3-(4-hydroxyphenyl)-4-oxidanyl-5-oxidanylidene-2-[[2-(2-oxidanylpropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methyl]furan-2-carboxylate
MOLECULAR FORMULA: C24H24O8
MOLECULAR WEIGHT: 440.44256
SMILES: CC(C)(C1CC2=C(O1)C=CC(=C2)CC3(C(=C(C(=O)O3)O)C4=CC=C(C=C4)O)C(=O)OC)O
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Product OPENEYE NAME: (E)-3-hydroxy-10-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4,8-dimethyl-dec-8-enoic acid
CAS Name: (E)-3-hydroxy-10-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4,8-dimethyl-8-decenoic acid
IUPAC NAME: (E)-3-hydroxy-10-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4,8-dimethyldec-8-enoic acid
SYSTEMATIC NAME: (E)-10-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4,8-dimethyl-3-oxidanyl-dec-8-enoic acid
MOLECULAR FORMULA: C22H30O7
MOLECULAR WEIGHT: 406.4694
SMILES: CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(\C)/CCCC(C)C(CC(=O)O)O)OC
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Product OPENEYE NAME: (3E,8E)-10-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4,8-dimethyl-deca-3,8-dienoic acid
CAS Name: (3E,8E)-10-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4,8-dimethyldeca-3,8-dienoic acid
IUPAC NAME: (3E,8E)-10-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4,8-dimethyldeca-3,8-dienoic acid
SYSTEMATIC NAME: (3E,8E)-10-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4,8-dimethyl-deca-3,8-dienoic acid
MOLECULAR FORMULA: C22H28O6
MOLECULAR WEIGHT: 388.45412
SMILES: CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(\C)/CCC/C(=C/CC(=O)O)/C)OC
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Product OPENEYE NAME: (4E,8E)-10-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4,8-dimethyl-deca-4,8-dienoic acid
CAS Name: (4E,8E)-10-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4,8-dimethyldeca-4,8-dienoic acid
IUPAC NAME: (4E,8E)-10-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4,8-dimethyldeca-4,8-dienoic acid
SYSTEMATIC NAME: (4E,8E)-10-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4,8-dimethyl-deca-4,8-dienoic acid
MOLECULAR FORMULA: C22H28O6
MOLECULAR WEIGHT: 388.45412
SMILES: CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(\C)/CC/C=C(\C)/CCC(=O)O)OC
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Product OPENEYE NAME: methyl 2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxy-propanoate
CAS Name: 2-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester
IUPAC NAME: methyl 2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoate
SYSTEMATIC NAME: methyl 2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanyl-propanoate
MOLECULAR FORMULA: C11H13NO6
MOLECULAR WEIGHT: 255.22402
SMILES: COC(=O)C(CO)NC(=O)C1=C(C(=CC=C1)O)O
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Product OPENEYE NAME: methyl 2-[(2,3-dihydroxybenzoyl)amino]-3-[2-[(2,3-dihydroxybenzoyl)amino]prop-2-enoyloxy]propanoate
CAS Name: 2-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]-3-[2-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]-1-oxoprop-2-enoxy]propanoic acid methyl ester
IUPAC NAME: methyl 2-[(2,3-dihydroxybenzoyl)amino]-3-[2-[(2,3-dihydroxybenzoyl)amino]prop-2-enoyloxy]propanoate
SYSTEMATIC NAME: methyl 2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]prop-2-enoyloxy]propanoate
MOLECULAR FORMULA: C21H20N2O10
MOLECULAR WEIGHT: 460.3909
SMILES: COC(=O)C(COC(=O)C(=C)NC(=O)C1=C(C(=CC=C1)O)O)NC(=O)C2=C(C(=CC=C2)O)O
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Product OPENEYE NAME: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxy-4-methoxy-2,5-diphenyl-phenoxy)tetrahydropyran-2-carboxylic acid
CAS Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxy-4-methoxy-2,5-diphenylphenoxy)-2-oxanecarboxylic acid
IUPAC NAME: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxy-4-methoxy-2,5-diphenylphenoxy)oxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-6-(4-methoxy-3-oxidanyl-2,5-diphenyl-phenoxy)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C25H24O9
MOLECULAR WEIGHT: 468.45266
SMILES: COC1=C(C(=C(C=C1C2=CC=CC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC=CC=C4)O
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IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H34O4
MOLECULAR WEIGHT: 338.48156
SMILES: CC(CO)C\1CCC2(/C1=C\CC(C3C(CC(C3C2)CO)O)(C)O)C
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Product OPENEYE NAME: 7-heptyl-2,8,9-trihydroxy-6,11-dioxabicyclo[8.1.0]undecan-5-one
CAS Name: 7-heptyl-2,8,9-trihydroxy-6,11-dioxabicyclo[8.1.0]undecan-5-one
IUPAC NAME: 7-heptyl-2,8,9-trihydroxy-6,11-dioxabicyclo[8.1.0]undecan-5-one
SYSTEMATIC NAME: 7-heptyl-2,8,9-tris(oxidanyl)-6,11-dioxabicyclo[8.1.0]undecan-5-one
MOLECULAR FORMULA: C16H28O6
MOLECULAR WEIGHT: 316.38992
SMILES: CCCCCCCC1C(C(C2C(O2)C(CCC(=O)O1)O)O)O
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Product OPENEYE NAME: [(2S)-2-hydroxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-propyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
CAS Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid [(2S)-2-hydroxy-3-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]propyl] ester
IUPAC NAME: [(2S)-2-hydroxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
SYSTEMATIC NAME: [(2S)-3-[(2S,3S,4R,5S,6S)-6-[[(2S,3S,4R,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-propyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
MOLECULAR FORMULA: C33H56O14
MOLECULAR WEIGHT: 676.78934
SMILES: CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)CO[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)O)O)O)O
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MOLECULAR FORMULA: C29H39NO12
MOLECULAR WEIGHT: 593.61946
SMILES: C/C=C\1/C(=O)O[C@]2(C1(CCC3(CC(=O)C(O3)([C@H](C2)OC(=O)C(CN4CCCC4C(=O)O)CO)C(=C)C(=O)OC)C)O)C
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Product OPENEYE NAME: 2-[4-[7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydrobenzofuran-2-yl]-2-methoxy-phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: 2-[4-[7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydrobenzofuran-2-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: 2-[4-[7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-[4-[3-(hydroxymethyl)-7-oxidanyl-5-(3-oxidanylpropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxy-phenoxy]oxane-3,4,5-triol
MOLECULAR FORMULA: C25H32O11
MOLECULAR WEIGHT: 508.51498
SMILES: COC1=C(C=CC(=C1)C2C(C3=CC(=CC(=C3O2)O)CCCO)CO)OC4C(C(C(C(O4)CO)O)O)O
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Product OPENEYE NAME: (2R,3R,4R,6aR,6bS,8aR,14bR)-2,3,12-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
CAS Name: (2R,3R,4R,6aR,6bS,8aR,14bR)-2,3,12-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[oxo-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]methyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
IUPAC NAME: (2R,3R,4R,6aR,6bS,8aR,14bR)-2,3,12-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
SYSTEMATIC NAME: (2R,3R,4R,6aR,6bS,8aR,14bR)-8a-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-2,3,12-tris(oxidanyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
MOLECULAR FORMULA: C36H56O12
MOLECULAR WEIGHT: 680.82264
SMILES: C[C@@]12CCC3[C@@](C1CC=C4[C@]2(CC[C@@]5(C4C(C(CC5)(C)C)O)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)(C[C@H]([C@@H]([C@]3(C)C(=O)O)O)O)C
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Product OPENEYE NAME: 5-(15-hydroxyhexadecyl)benzene-1,3-diol
CAS Name: 5-(15-hydroxyhexadecyl)benzene-1,3-diol
IUPAC NAME: 5-(15-hydroxyhexadecyl)benzene-1,3-diol
SYSTEMATIC NAME: 5-(15-oxidanylhexadecyl)benzene-1,3-diol
MOLECULAR FORMULA: C22H38O3
MOLECULAR WEIGHT: 350.53532
SMILES: CC(CCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O)O
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MOLECULAR FORMULA: C58H96O27
MOLECULAR WEIGHT: 1225.36664
SMILES: C[C@]12CC[C@@H]([C@@](C1CC[C@@]3(C2CC[C@@]45[C@]3(C[C@H]([C@@]6(C4CC(CC6)(C)C)CO5)OC7C(C(C(CO7)O)O)O)C)C)(C)CO)O[C@H]8[C@@H]([C@H]([C@H](CO8)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@@H]([
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MOLECULAR FORMULA: C19H20O6
MOLECULAR WEIGHT: 344.3585
SMILES: C[C@@H]1CC2C3=C(C(CCC3[C@@]14C[C@H](OC4=O)C5=COC=C5)O)C(=O)O2
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Product OPENEYE NAME: methyl (1R,4S,4aS,7R,8S,9R)-4,9-diacetoxy-8-hydroxy-1,4a,7-trimethyl-7-vinyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
CAS Name: (1R,4S,4aS,7R,8S,9R)-4,9-diacetyloxy-7-ethenyl-8-hydroxy-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid methyl ester
IUPAC NAME: methyl (1R,4S,4aS,7R,8S,9R)-4,9-diacetyloxy-7-ethenyl-8-hydroxy-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
SYSTEMATIC NAME: methyl (1R,4S,4aS,7R,8S,9R)-4,9-diacetyloxy-7-ethenyl-1,4a,7-trimethyl-8-oxidanyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
MOLECULAR FORMULA: C25H36O7
MOLECULAR WEIGHT: 448.54914
SMILES: CC(=O)O[C@H]1CC[C@@](C2[C@]1(C3=C([C@@H](C2)OC(=O)C)[C@H]([C@@](CC3)(C)C=C)O)C)(C)C(=O)OC
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Product OPENEYE NAME: 3-[4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CAS Name: 3-[[4,5-dihydroxy-3-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one
IUPAC NAME: 3-[4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 2-(4-hydroxyphenyl)-3-[3-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C33H40O19
MOLECULAR WEIGHT: 740.6593
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)O)O)O)O)O
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Product OPENEYE NAME: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]tetrahydropyran-3-yl] 4-hydroxybenzoate
CAS Name: 4-hydroxybenzoic acid [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-[(4-hydroxyphenyl)-oxomethyl]phenyl]-3-oxanyl] ester
IUPAC NAME: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate
SYSTEMATIC NAME: [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[3-(4-hydroxyphenyl)carbonyl-2,4,6-tris(oxidanyl)phenyl]-4,5-bis(oxidanyl)oxan-3-yl] 4-oxidanylbenzoate
MOLECULAR FORMULA: C26H24O12
MOLECULAR WEIGHT: 528.46156
SMILES: C1=CC(=CC=C1C(=O)C2=C(C(=C(C=C2O)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)C4=CC=C(C=C4)O)O)O
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Product OPENEYE NAME: methyl 4-acetoxy-8-[1-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate
CAS Name: 4-acetyloxy-8-[1-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]-1-cyclopent-2-enyl]octanoic acid methyl ester
IUPAC NAME: methyl 4-acetyloxy-8-[1-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate
SYSTEMATIC NAME: methyl 4-acetyloxy-8-[1-oxidanyl-4-oxidanylidene-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate
MOLECULAR FORMULA: C21H32O6
MOLECULAR WEIGHT: 380.47518
SMILES: CC/C=C\CC1C(=O)C=CC1(CCCCC(CCC(=O)OC)OC(=O)C)O
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MOLECULAR FORMULA: C27H32O10
MOLECULAR WEIGHT: 516.53698
SMILES: C[C@@]12CCC3[C@@]4([C@H](C5(CC4(C([C@]36[C@]1(O6)CC(=O)O[C@H]2C7=COC=C7)C(=O)[C@H]5O)O)C)[C@@H](C(=O)OC)O)C
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C33H54O12
MOLECULAR WEIGHT: 642.77466
SMILES: C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC(=O)C5([C@@]4(CC([C@@H](C5)O)O)C)O)C)OC1(CCC(C)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O
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Product OPENEYE NAME: [(3S,3aR,4R,5R,6R)-6-[(2R,3R,4S)-4-acetoxy-6-hydroxy-2-(2-methoxy-2-oxo-ethyl)-1,3-dimethyl-7,9-dioxabicyclo[4.2.1]nonan-3-yl]-5-formyloxy-3-(3-furyl)-7a-hydroxy-3a-methyl-7-methylene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] 2-hydroxy-3-methyl-pentanoate
CAS Name: 2-hydroxy-3-methylpentanoic acid [(3S,3aR,4R,5R,6R)-6-[(2R,3R,4S)-4-acetyloxy-6-hydroxy-2-(2-methoxy-2-oxoethyl)-1,3-dimethyl-7,9-dioxabicyclo[4.2.1]nonan-3-yl]-5-formyloxy-3-(3-furanyl)-7a-hydroxy-3a-methyl-7-methylene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4
IUPAC NAME: [(3S,3aR,4R,5R,6R)-6-[(2R,3R,4S)-4-acetyloxy-6-hydroxy-2-(2-methoxy-2-oxoethyl)-1,3-dimethyl-7,9-dioxabicyclo[4.2.1]nonan-3-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] 2-hydroxy-3-methylpentano
SYSTEMATIC NAME: [(3S,3aR,4R,5R,6R)-6-[(2R,3R,4S)-4-acetyloxy-2-(2-methoxy-2-oxidanylidene-ethyl)-1,3-dimethyl-6-oxidanyl-7,9-dioxabicyclo[4.2.1]nonan-3-yl]-3-(furan-3-yl)-5-methanoyloxy-3a-methyl-7-methylidene-7a-oxidanyl-1-oxidanylidene-3,4,5,6-tetrahydro-2H-inden-4-yl]
MOLECULAR FORMULA: C36H48O15
MOLECULAR WEIGHT: 720.75732
SMILES: CCC(C)C(C(=O)O[C@H]1[C@@H]([C@@H](C(=C)C2([C@@]1([C@@H](CC2=O)C3=COC=C3)C)O)[C@]4([C@H](CC5(OCC([C@@H]4CC(=O)OC)(O5)C)O)OC(=O)C)C)OC=O)O
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