CAS RN: 4954-06-7
CAS Name: acetic acid [(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C23H32O3
MOLECULAR WEIGHT: 356.49838
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=C4)OC(=O)C)C)C
Structure:
CAS RN: 4728-90-9
CAS Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] dihydrogen phosphate
OPENEYE Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] dihydrogen phosphate
IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] dihydrogen phosphate
SYSTEMATIC NAME: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] dihydrogen phosphate
MOLECULAR FORMULA: C27H47O4P
MOLECULAR WEIGHT: 466.633441
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OP(=O)(O)O)C)C
Structure:
CAS RN: 4350-14-5
CAS Name: propanoic acid [(3R,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-(1-oxopropoxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3R,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-propanoyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate
IUPAC Name: [(3R,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-propanoyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate
SYSTEMATIC NAME: [(3R,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-propanoyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate
MOLECULAR FORMULA: C25H40O4
MOLECULAR WEIGHT: 404.5827
SMILES: CCC(=O)O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OC(=O)CC)C)C
Structure:
CAS RN: 3750-43-4
CAS Name: N-[bis(1-aziridinyl)phosphinothioyl]-N-methylmethanamine
OPENEYE Name: N-[bis(aziridin-1-yl)phosphinothioyl]-N-methyl-methanamine
IUPAC Name: N-[bis(aziridin-1-yl)phosphinothioyl]-N-methylmethanamine
SYSTEMATIC NAME: N-[bis(aziridin-1-yl)phosphinothioyl]-N-methyl-methanamine
MOLECULAR FORMULA: C6H14N3PS
MOLECULAR WEIGHT: 191.234221
SMILES: CN(C)P(=S)(N1CC1)N2CC2
Structure:
CAS RN: 3728-20-9
CAS Name: (2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid methyl ester hydrochloride
OPENEYE Name: methyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate hydrochloride
IUPAC Name: methyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate hydrochloride
SYSTEMATIC NAME: methyl (2R)-2-azanyl-3-(4-hydroxyphenyl)propanoate hydrochloride
MOLECULAR FORMULA: C10H14ClNO3
MOLECULAR WEIGHT: 231.67606
SMILES: COC(=O)[C@@H](CC1=CC=C(C=C1)O)N.Cl
Structure:
CAS RN: 3523-95-3
CAS Name: 5-[(4-aminophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
OPENEYE Name: 5-[(4-aminophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
IUPAC Name: 5-[(4-aminophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
SYSTEMATIC NAME: 5-[(4-aminophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
MOLECULAR FORMULA: C8H9N5O4S3
MOLECULAR WEIGHT: 335.38316
SMILES: C1=CC(=CC=C1N)S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N
Structure:
CAS RN: 3562-90-1
CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-(4-morpholinyl)ethanone
OPENEYE Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-morpholino-ethanone
IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-morpholin-4-ylethanone
SYSTEMATIC NAME: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-morpholin-4-yl-ethanone
MOLECULAR FORMULA: C15H20N2O4
MOLECULAR WEIGHT: 292.3303
SMILES: C1COCCN1C(=O)CNCC2COC3=CC=CC=C3O2
Structure:
CAS RN: 3477-94-9
CAS Name: benzoic acid (3-chloro-2-hydroxypropyl) ester
OPENEYE Name: (3-chloro-2-hydroxy-propyl) benzoate
IUPAC Name: (3-chloro-2-hydroxypropyl) benzoate
SYSTEMATIC NAME: (3-chloranyl-2-oxidanyl-propyl) benzoate
MOLECULAR FORMULA: C10H11ClO3
MOLECULAR WEIGHT: 214.64554
SMILES: C1=CC=C(C=C1)C(=O)OCC(CCl)O
Structure:
CAS RN: 3545-96-8
CAS Name: 1-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-methylpyrimidine-2,4-dione
OPENEYE Name: 1-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
IUPAC Name: 1-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5-methyl-1-[(2R,4S,5S)-4-oxidanyl-5-(oxidanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H14N2O5
MOLECULAR WEIGHT: 244.221102
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)[14CH2]O)O
Structure:
CAS RN: 3343-33-7
CAS Name: 9,10-ditritiohexadecanoic acid
OPENEYE Name: 9,10-ditritiohexadecanoic acid
IUPAC Name: 9,10-ditritiohexadecanoic acid
SYSTEMATIC NAME: 9,10-ditritiohexadecanoic acid
MOLECULAR FORMULA: C16H32O2
MOLECULAR WEIGHT: 260.440299
SMILES: [3H]C(CCCCCC)C([3H])CCCCCCCC(=O)O
Structure:
CAS RN: 3343-15-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H21N3O2
MOLECULAR WEIGHT: 311.37824
SMILES: CC(NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C)O
Structure:
CAS RN: 511-09-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H41N5O5
MOLECULAR WEIGHT: 575.69844
SMILES: CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O
Structure:
CAS RN: 279-27-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H45N5O8S
MOLECULAR WEIGHT: 671.8041
SMILES: CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O.CS(=O)(=O)O
Structure:
CAS RN: 24666-56-6
CAS Name: 3-aminopiperidine-2,6-dione hydrochloride
OPENEYE Name: 3-aminopiperidine-2,6-dione hydrochloride
IUPAC Name: 3-aminopiperidine-2,6-dione hydrochloride
SYSTEMATIC NAME: 3-azanylpiperidine-2,6-dione hydrochloride
MOLECULAR FORMULA: C5H9ClN2O2
MOLECULAR WEIGHT: 164.59016
SMILES: C1CC(=O)NC(=O)C1N.Cl
Structure:
CAS RN: 34408-47-4
CAS Name: (1R,2S)-3-methyl-1,2-dihydrobenzo[j]aceanthrylene-1,2-diol
OPENEYE Name: (1R,2S)-3-methyl-1,2-dihydrobenzo[j]aceanthrylene-1,2-diol
IUPAC Name: (1R,2S)-3-methyl-1,2-dihydrobenzo[j]aceanthrylene-1,2-diol
SYSTEMATIC NAME: (1R,2S)-3-methyl-1,2-dihydrobenzo[j]aceanthrylene-1,2-diol
MOLECULAR FORMULA: C21H16O2
MOLECULAR WEIGHT: 300.35054
SMILES: CC1=C2[C@@H]([C@@H](C3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1)O)O
Structure:
CAS RN: 3417-71-8
CAS Name: 1-(1H-indol-2-yl)-2-methyl-2-propanamine hydrochloride
OPENEYE Name: 1-(1H-indol-2-yl)-2-methyl-propan-2-amine hydrochloride
IUPAC Name: 1-(1H-indol-2-yl)-2-methylpropan-2-amine hydrochloride
SYSTEMATIC NAME: 1-(1H-indol-2-yl)-2-methyl-propan-2-amine hydrochloride
MOLECULAR FORMULA: C12H17ClN2
MOLECULAR WEIGHT: 224.72978
SMILES: CC(C)(CC1=CC2=CC=CC=C2N1)N.Cl
Structure:
CAS RN: 3275-37-4
CAS Name: (2S)-2-amino-2-methylpentanoic acid
OPENEYE Name: (2S)-2-amino-2-methyl-pentanoic acid
IUPAC Name: (2S)-2-amino-2-methylpentanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-2-methyl-pentanoic acid
MOLECULAR FORMULA: C6H13NO2
MOLECULAR WEIGHT: 131.17292
SMILES: CCC[C@@](C)(C(=O)O)N
Structure:
CAS RN: 26287-61-6
CAS Name: (2S)-2-amino-2-methylpentanoic acid
OPENEYE Name: (2S)-2-amino-2-methyl-pentanoic acid
IUPAC Name: (2S)-2-amino-2-methylpentanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-2-methyl-pentanoic acid
MOLECULAR FORMULA: C6H13NO2
MOLECULAR WEIGHT: 131.17292
SMILES: CCC[C@@](C)(C(=O)O)N
Structure:
CAS RN: 2940-63-8
CAS Name: 3-tert-butyl-5-methoxycyclohexa-3,5-diene-1,2-dione
OPENEYE Name: 3-tert-butyl-5-methoxy-1,2-benzoquinone
IUPAC Name: 3-tert-butyl-5-methoxycyclohexa-3,5-diene-1,2-dione
SYSTEMATIC NAME: 3-tert-butyl-5-methoxy-cyclohexa-3,5-diene-1,2-dione
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: CC(C)(C)C1=CC(=CC(=O)C1=O)OC
Structure:
CAS RN: 2899-28-7
CAS Name: (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid ethyl ester hydrochloride
OPENEYE Name: ethyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate hydrochloride
IUPAC Name: ethyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate hydrochloride
SYSTEMATIC NAME: ethyl (2S)-2-azanyl-3-(1H-indol-3-yl)propanoate hydrochloride
MOLECULAR FORMULA: C13H17ClN2O2
MOLECULAR WEIGHT: 268.73928
SMILES: CCOC(=O)[C@H](CC1=CNC2=CC=CC=C21)N.Cl
Structure:
CAS RN: 2353-39-1
CAS Name: 2-[[(1-amino-4-carboxy-1-oxobutan-2-yl)amino]-oxomethyl]benzoic acid
OPENEYE Name: 2-[(1-carbamoyl-3-carboxy-propyl)carbamoyl]benzoic acid
IUPAC Name: 2-[(1-amino-4-carboxy-1-oxobutan-2-yl)carbamoyl]benzoic acid
SYSTEMATIC NAME: 2-[[1-azanyl-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]benzoic acid
MOLECULAR FORMULA: C13H14N2O6
MOLECULAR WEIGHT: 294.26006
SMILES: C1=CC=C(C(=C1)C(=O)NC(CCC(=O)O)C(=O)N)C(=O)O
Structure:
CAS RN: 23434-88-0
CAS Name: (3R,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
OPENEYE Name: (3R,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
IUPAC Name: (3R,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
SYSTEMATIC NAME: (3R,8R,9S,10R,13S,14S)-10,13-dimethyl-3-oxidanyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
MOLECULAR FORMULA: C19H28O2
MOLECULAR WEIGHT: 288.42442
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@H](C4)O)C
Structure:
CAS RN: 22581-05-1
CAS Name: acetic acid [(8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(8R,9S,10R,13S,14S,17R)-17-acetoxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C24H30O4
MOLECULAR WEIGHT: 382.4926
SMILES: CC(=O)OC1=CC2=CC[C@@H]3[C@@H]([C@H]2CC1)CC[C@]4([C@H]3CC[C@]4(C#C)OC(=O)C)C
Structure:
CAS RN: 2281-78-9
CAS Name: 1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea
OPENEYE Name: 1-(4-chlorophenyl)sulfonyl-3-isopropyl-urea
IUPAC Name: 1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea
SYSTEMATIC NAME: 1-(4-chlorophenyl)sulfonyl-3-propan-2-yl-urea
MOLECULAR FORMULA: C10H13ClN2O3S
MOLECULAR WEIGHT: 276.73982
SMILES: CC(C)NC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl
Structure:
CAS RN: 1991-81-7
CAS Name: (2S)-2-amino-3-(4-iodophenyl)propanoic acid
OPENEYE Name: (2S)-2-amino-3-(4-iodophenyl)propanoic acid
IUPAC Name: (2S)-2-amino-3-(4-iodophenyl)propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-(4-iodophenyl)propanoic acid
MOLECULAR FORMULA: C9H10INO2
MOLECULAR WEIGHT: 291.08567
SMILES: C1=CC(=CC=C1C[C@@H](C(=O)O)N)I
Structure:
CAS RN: 24250-85-9
CAS Name: (2S)-2-amino-3-(4-iodophenyl)propanoic acid
OPENEYE Name: (2S)-2-amino-3-(4-iodophenyl)propanoic acid
IUPAC Name: (2S)-2-amino-3-(4-iodophenyl)propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-(4-iodophenyl)propanoic acid
MOLECULAR FORMULA: C9H10INO2
MOLECULAR WEIGHT: 291.08567
SMILES: C1=CC(=CC=C1C[C@@H](C(=O)O)N)I
Structure:
CAS RN: 78995-65-0
CAS Name: (1R,2S)-2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)-1-propanol
OPENEYE Name: (1R,2S)-2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol
IUPAC Name: (1R,2S)-2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol
SYSTEMATIC NAME: (1R,2S)-2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol
MOLECULAR FORMULA: C15H25NO3
MOLECULAR WEIGHT: 267.3639
SMILES: C[C@@H]([C@@H](C1=C(C=CC(=C1)OC)OC)O)NC(C)(C)C
Structure:
CAS RN: 13098-17-4
CAS Name: (1R,2S)-2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)-1-propanol
OPENEYE Name: (1R,2S)-2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol
IUPAC Name: (1R,2S)-2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol
SYSTEMATIC NAME: (1R,2S)-2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol
MOLECULAR FORMULA: C15H25NO3
MOLECULAR WEIGHT: 267.3639
SMILES: C[C@@H]([C@@H](C1=C(C=CC(=C1)OC)OC)O)NC(C)(C)C
Structure:
CAS RN: 1937-89-9
CAS Name: (1R,2S)-2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)-1-propanol
OPENEYE Name: (1R,2S)-2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol
IUPAC Name: (1R,2S)-2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol
SYSTEMATIC NAME: (1R,2S)-2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol
MOLECULAR FORMULA: C15H25NO3
MOLECULAR WEIGHT: 267.3639
SMILES: C[C@@H]([C@@H](C1=C(C=CC(=C1)OC)OC)O)NC(C)(C)C
Structure:
CAS RN: 1851-23-6
CAS Name: (3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
OPENEYE Name: (3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
IUPAC Name: (3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
SYSTEMATIC NAME: (3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
MOLECULAR FORMULA: C19H32O2
MOLECULAR WEIGHT: 292.45618
SMILES: C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O
Structure:
CAS RN: 18204-80-3
CAS Name: (3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
OPENEYE Name: (3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
IUPAC Name: (3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
SYSTEMATIC NAME: (3S,5S,8S,9S,10S,13S,14S,16S,17R)-16-bromanyl-17-ethanoyl-10,13-dimethyl-3,17-bis(oxidanyl)-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
MOLECULAR FORMULA: C21H31BrO4
MOLECULAR WEIGHT: 427.37244
SMILES: CC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)Br)O
Structure:
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