Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C79H110O35
MOLECULAR WEIGHT: 1619.6977
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@H]3[C@@H]([C@H](O[C@H]([C@@H]3O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O[C@H]5CC[C@@]6(C7CC[C@]89C1CC([C@H]([C@@H]([C@@]1([C@@H](C[C@]8([C@@]7(CCC6C5(C)C)C)C)OC(=O)C)[C@@H](O9)O)O
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Product OPENEYE NAME: 1-methyl-1-(3-methylbut-2-enyl)pyrrolidin-1-ium-2-carboxylate
CAS Name: 1-methyl-1-(3-methylbut-2-enyl)-2-pyrrolidin-1-iumcarboxylate
IUPAC NAME: 1-methyl-1-(3-methylbut-2-enyl)pyrrolidin-1-ium-2-carboxylate
SYSTEMATIC NAME: 1-methyl-1-(3-methylbut-2-enyl)pyrrolidin-1-ium-2-carboxylate
MOLECULAR FORMULA: C11H19NO2
MOLECULAR WEIGHT: 197.27406
SMILES: CC(=CC[N+]1(CCCC1C(=O)[O-])C)C
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Product OPENEYE NAME: 1-methyl-1-(3-methylbut-2-enyl)pyrrolidin-1-ium-2-carboxylic acid
CAS Name: 1-methyl-1-(3-methylbut-2-enyl)-2-pyrrolidin-1-iumcarboxylic acid
IUPAC NAME: 1-methyl-1-(3-methylbut-2-enyl)pyrrolidin-1-ium-2-carboxylic acid
SYSTEMATIC NAME: 1-methyl-1-(3-methylbut-2-enyl)pyrrolidin-1-ium-2-carboxylic acid
MOLECULAR FORMULA: C11H20NO2+
MOLECULAR WEIGHT: 198.282
SMILES: CC(=CC[N+]1(CCCC1C(=O)O)C)C
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Product OPENEYE NAME: [2-(7-methoxy-2-oxo-chromen-8-yl)-4-methylene-tetrahydrofuran-3-yl] 3-methylbutanoate
CAS Name: 3-methylbutanoic acid [2-(7-methoxy-2-oxo-1-benzopyran-8-yl)-4-methylene-3-oxolanyl] ester
IUPAC NAME: [2-(7-methoxy-2-oxochromen-8-yl)-4-methylideneoxolan-3-yl] 3-methylbutanoate
SYSTEMATIC NAME: [2-(7-methoxy-2-oxidanylidene-chromen-8-yl)-4-methylidene-oxolan-3-yl] 3-methylbutanoate
MOLECULAR FORMULA: C20H22O6
MOLECULAR WEIGHT: 358.38508
SMILES: CC(C)CC(=O)OC1C(OCC1=C)C2=C(C=CC3=C2OC(=O)C=C3)OC
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Product OPENEYE NAME: methyl (5Z)-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxo-ethyl]-5-[2-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4H-pyran-3-carbox
CAS Name: (5Z)-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-5-[2-[[3-methoxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-oxomethoxy]ethylidene]-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4H-pyran-3-carboxylic acid methyl e
IUPAC NAME: methyl (5Z)-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-5-[2-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
SYSTEMATIC NAME: methyl (5Z)-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-[2-[4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methoxy-phenyl]carbonyloxyethylidene]-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxidanylidene-ethyl]-4H-pyran-3-car
MOLECULAR FORMULA: C39H48O21
MOLECULAR WEIGHT: 852.78582
SMILES: COC1=C(C=CC(=C1)C(=O)OC/C=C\2/C(C(=COC2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)OC)CC(=O)OCCC4=CC=C(C=C4)O)OC5C(C(C(C(O5)CO)O)O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H18O4
MOLECULAR WEIGHT: 322.35452
SMILES: C[C@@]1([C@H]2CCC3([C@H]2C=C4[C@]1(O3)C(=O)C5=CC=CC=C5C4=O)C)C=O
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Product OPENEYE NAME: 5-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxo-pentanoic acid
CAS Name: 5-[[(2R,3S,4S,5R,6S)-6-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-3-yl]oxy]-3,4-dihydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
IUPAC NAME: 5-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[[(2R,3S,4S,5R,6S)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methoxy]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C33H38O20
MOLECULAR WEIGHT: 754.64282
SMILES: CC(CC(=O)O)(CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O
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Product OPENEYE NAME: 5-[[17-[4,5-dihydroxy-1-(hydroxymethyl)-5-methyl-hexyl]-3,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]-3-hydroxy-3-methyl-5-oxo-pentanoic acid
CAS Name: 5-[[3,12-dihydroxy-4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
IUPAC NAME: 5-[[3,12-dihydroxy-4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-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-1,5,6-tris(oxidanyl)heptan-2-yl]-3,12-bis(oxidanyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]pentanoic acid
MOLECULAR FORMULA: C36H60O10
MOLECULAR WEIGHT: 652.8556
SMILES: CC1(C2CCC3=C(C2(CC(C1O)OC(=O)CC(C)(CC(=O)O)O)C)CC(C4(C3(CCC4C(CCC(C(C)(C)O)O)CO)C)C)O)C
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Product OPENEYE NAME: [17-[4,5-dihydroxy-1-(hydroxymethyl)-5-methyl-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] 3-hydroxy-5-[(2-methoxy-2-oxo-ethyl)amino]-3-methyl-5-oxo-pentanoate
CAS Name: 3-hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid [2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoate
SYSTEMATIC NAME: [4,4,10,13,14-pentamethyl-17-[6-methyl-1,5,6-tris(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] 5-[(2-methoxy-2-oxidanylidene-ethyl)amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoate
MOLECULAR FORMULA: C39H65NO11
MOLECULAR WEIGHT: 723.9335
SMILES: CC1(C2CCC3=C(C2(CC(C1OC(=O)CC(C)(CC(=O)NCC(=O)OC)O)O)C)CC(C4(C3(CCC4C(CCC(C(C)(C)O)O)CO)C)C)O)C
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