Tuesday, September 4, 2012

All Chemical Compounds Information



Product OPENEYE NAME: (3S,5S,8R,9S,10S,13S,16R)-16-bromo-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CAS Name: (3S,5S,8R,9S,10S,13S,16R)-16-bromo-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
IUPAC NAME: (3S,5S,8R,9S,10S,13S,16R)-16-bromo-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
SYSTEMATIC NAME: (3S,5S,8R,9S,10S,13S,16R)-16-bromanyl-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
MOLECULAR FORMULA: C19H29BrO2
MOLECULAR WEIGHT: 369.33636
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4(C3C[C@H](C4=O)Br)C)O
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Product OPENEYE NAME: [(3S,8R,9S,10R,13S,16R)-16-bromo-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
CAS Name: acetic acid [(3S,8R,9S,10R,13S,16R)-16-bromo-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [(3S,8R,9S,10R,13S,16R)-16-bromo-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,8R,9S,10R,13S,16R)-16-bromanyl-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C21H29BrO3
MOLECULAR WEIGHT: 409.35716
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4(C([C@@H]3CC=C2C1)C[C@H](C4=O)Br)C)C
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Product OPENEYE NAME: (3S,5S,8R,9S,10S,13S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one
CAS Name: (3S,5S,8R,9S,10S,13S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one
IUPAC NAME: (3S,5S,8R,9S,10S,13S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one
SYSTEMATIC NAME: (3S,5S,8R,9S,10S,13S,17R)-10,13-dimethyl-3,17-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one
MOLECULAR FORMULA: C19H30O3
MOLECULAR WEIGHT: 306.4397
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4(C3CC(=O)[C@@H]4O)C)O
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Product OPENEYE NAME: (3S,8R,9S,10R,13S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
CAS Name: (3S,8R,9S,10R,13S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
IUPAC NAME: (3S,8R,9S,10R,13S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
SYSTEMATIC NAME: (3S,8R,9S,10R,13S,17R)-10,13-dimethyl-3,17-bis(oxidanyl)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
MOLECULAR FORMULA: C19H28O3
MOLECULAR WEIGHT: 304.42382
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4(C3CC(=O)[C@@H]4O)C)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H31BrO3
MOLECULAR WEIGHT: 411.37304
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4(C3C[C@@H]5[C@]4(O5)Br)C)C
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Product OPENEYE NAME: [(3S,8R,9S,10R,13S,16R)-16-acetoxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
CAS Name: acetic acid [(3S,8R,9S,10R,13S,16R)-16-acetyloxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [(3S,8R,9S,10R,13S,16R)-16-acetyloxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,8R,9S,10R,13S,16R)-16-acetyloxy-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C23H32O5
MOLECULAR WEIGHT: 388.49718
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4(C([C@@H]3CC=C2C1)C[C@H](C4=O)OC(=O)C)C)C
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Product OPENEYE NAME: (2R,5S,8R,10S,13R,17R)-2-bromo-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CAS Name: (2R,5S,8R,10S,13R,17R)-2-bromo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: (2R,5S,8R,10S,13R,17R)-2-bromo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (2R,5S,8R,10S,13R,17R)-2-bromanyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C27H45BrO
MOLECULAR WEIGHT: 465.5496
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3[C@H]2CC[C@@H]4[C@@]3(C[C@H](C(=O)C4)Br)C)C
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Product OPENEYE NAME: (3S,5S,8R,9S,10S,13S,16E,17R)-10,13-dimethyl-16-(phenylhydrazono)-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
CAS Name: (3S,5S,8R,9S,10S,13S,16E,17R)-10,13-dimethyl-16-(phenylhydrazinylidene)-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
IUPAC NAME: (3S,5S,8R,9S,10S,13S,16E,17R)-10,13-dimethyl-16-(phenylhydrazinylidene)-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
SYSTEMATIC NAME: (3S,5S,8R,9S,10S,13S,16E,17R)-10,13-dimethyl-16-(phenylhydrazinylidene)-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
MOLECULAR FORMULA: C25H36N2O2
MOLECULAR WEIGHT: 396.56554
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4(C3C/C(=N\NC5=CC=CC=C5)/[C@@H]4O)C)O
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Product OPENEYE NAME: (3S,8R,9S,10R,13S,16E,17R)-10,13-dimethyl-16-(phenylhydrazono)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
CAS Name: (3S,8R,9S,10R,13S,16E,17R)-10,13-dimethyl-16-(phenylhydrazinylidene)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
IUPAC NAME: (3S,8R,9S,10R,13S,16E,17R)-10,13-dimethyl-16-(phenylhydrazinylidene)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
SYSTEMATIC NAME: (3S,8R,9S,10R,13S,16E,17R)-10,13-dimethyl-16-(phenylhydrazinylidene)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
MOLECULAR FORMULA: C25H34N2O2
MOLECULAR WEIGHT: 394.54966
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4(C3C/C(=N\NC5=CC=CC=C5)/[C@@H]4O)C)O
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Product OPENEYE NAME: [(3S,5S,8R,9S,10S,13S,16S)-16-(isopropylamino)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
CAS Name: acetic acid [(3S,5S,8R,9S,10S,13S,16S)-10,13-dimethyl-17-oxo-16-(propan-2-ylamino)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [(3S,5S,8R,9S,10S,13S,16S)-10,13-dimethyl-17-oxo-16-(propan-2-ylamino)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,5S,8R,9S,10S,13S,16S)-10,13-dimethyl-17-oxidanylidene-16-(propan-2-ylamino)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C24H39NO3
MOLECULAR WEIGHT: 389.57136
SMILES: CC(C)N[C@H]1CC2[C@@H]3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC[C@@]2(C1=O)C)C)OC(=O)C
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Product OPENEYE NAME: [(3S,5S,8R,9S,10S,13S,16S,17E)-10,13-dimethyl-16-(2-phenylhydrazino)-17-(phenylhydrazono)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
CAS Name: acetic acid [(3S,5S,8R,9S,10S,13S,16S,17E)-10,13-dimethyl-17-(phenylhydrazinylidene)-16-(phenylhydrazo)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [(3S,5S,8R,9S,10S,13S,16S,17E)-10,13-dimethyl-16-(2-phenylhydrazinyl)-17-(phenylhydrazinylidene)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,5S,8R,9S,10S,13S,16S,17E)-10,13-dimethyl-16-(2-phenylhydrazinyl)-17-(phenylhydrazinylidene)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C33H44N4O2
MOLECULAR WEIGHT: 528.72806
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]\4(C3C[C@@H](/C4=N/NC5=CC=CC=C5)NNC6=CC=CC=C6)C)C
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Product OPENEYE NAME: (3S,5S,8R,9S,10S,13S,16S,17E)-10,13-dimethyl-16-(2-phenylhydrazino)-17-(phenylhydrazono)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol
CAS Name: (3S,5S,8R,9S,10S,13S,16S,17E)-10,13-dimethyl-17-(phenylhydrazinylidene)-16-(phenylhydrazo)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol
IUPAC NAME: (3S,5S,8R,9S,10S,13S,16S,17E)-10,13-dimethyl-16-(2-phenylhydrazinyl)-17-(phenylhydrazinylidene)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,5S,8R,9S,10S,13S,16S,17E)-10,13-dimethyl-16-(2-phenylhydrazinyl)-17-(phenylhydrazinylidene)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C31H42N4O
MOLECULAR WEIGHT: 486.69138
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]\4(C3C[C@@H](/C4=N/NC5=CC=CC=C5)NNC6=CC=CC=C6)C)O
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Product OPENEYE NAME: [(3S,8R,9S,10R,13S,16S,17E)-10,13-dimethyl-16-(2-phenylhydrazino)-17-(phenylhydrazono)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
CAS Name: acetic acid [(3S,8R,9S,10R,13S,16S,17E)-10,13-dimethyl-17-(phenylhydrazinylidene)-16-(phenylhydrazo)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [(3S,8R,9S,10R,13S,16S,17E)-10,13-dimethyl-16-(2-phenylhydrazinyl)-17-(phenylhydrazinylidene)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,8R,9S,10R,13S,16S,17E)-10,13-dimethyl-16-(2-phenylhydrazinyl)-17-(phenylhydrazinylidene)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C33H42N4O2
MOLECULAR WEIGHT: 526.71218
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]\4(C([C@@H]3CC=C2C1)C[C@@H](/C4=N/NC5=CC=CC=C5)NNC6=CC=CC=C6)C)C
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Product OPENEYE NAME: (3S,8R,9S,10R,13S,16S,17E)-10,13-dimethyl-16-(2-phenylhydrazino)-17-(phenylhydrazono)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ol
CAS Name: (3S,8R,9S,10R,13S,16S,17E)-10,13-dimethyl-17-(phenylhydrazinylidene)-16-(phenylhydrazo)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ol
IUPAC NAME: (3S,8R,9S,10R,13S,16S,17E)-10,13-dimethyl-16-(2-phenylhydrazinyl)-17-(phenylhydrazinylidene)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,8R,9S,10R,13S,16S,17E)-10,13-dimethyl-16-(2-phenylhydrazinyl)-17-(phenylhydrazinylidene)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C31H40N4O
MOLECULAR WEIGHT: 484.6755
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]\4(C3C[C@@H](/C4=N/NC5=CC=CC=C5)NNC6=CC=CC=C6)C)O
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