CAS RN: 10004-67-8
CAS Name: (2S,5R,6R)-6-[[[(5S,7R)-3-amino-1-adamantyl]-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6R)-6-[[(5S,7R)-3-aminoadamantane-1-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6R)-6-[[(5S,7R)-3-aminoadamantane-1-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-6-[[(5S,7R)-3-azanyl-1-adamantyl]carbonylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C19H27N3O4S
MOLECULAR WEIGHT: 393.50038
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)N)C(=O)O)C
Structure:
CAS RN: 35619-66-0
CAS Name: (17R)-17-acetyl-6-chloro-17-hydroxy-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (17R)-17-acetyl-6-chloro-17-hydroxy-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (17R)-17-acetyl-6-chloro-17-hydroxy-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (17R)-6-chloranyl-17-ethanoyl-13-methyl-17-oxidanyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C20H25ClO3
MOLECULAR WEIGHT: 348.8637
SMILES: CC(=O)[C@]1(CCC2C1(CCC3C2C=C(C4=CC(=O)CCC34)Cl)C)O
Structure:
CAS RN: 83880-70-0
CAS Name: 2-furancarboxylic acid [(9R,10S,11S,13S,14S,16R,17R)-17-(2-acetyloxy-1-oxoethyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(9R,10S,11S,13S,14S,16R,17R)-17-(2-acetoxyacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
IUPAC Name: [(9R,10S,11S,13S,14S,16R,17R)-17-(2-acetyloxyacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
SYSTEMATIC NAME: [(9R,10S,11S,13S,14S,16R,17R)-17-(2-acetyloxyethanoyl)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
MOLECULAR FORMULA: C29H33FO8
MOLECULAR WEIGHT: 528.565923
SMILES: C[C@@H]1C[C@H]2C3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)OC(=O)C5=CC=CO5)C)O)F)C
Structure:
CAS RN: 23239-36-3
CAS Name: 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol hydrochloride
OPENEYE Name: 4-[1-hydroxy-2-(isopropylamino)ethyl]phenol hydrochloride
IUPAC Name: 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol hydrochloride
SYSTEMATIC NAME: 4-[1-oxidanyl-2-(propan-2-ylamino)ethyl]phenol hydrochloride
MOLECULAR FORMULA: C11H18ClNO2
MOLECULAR WEIGHT: 231.71912
SMILES: CC(C)NCC(C1=CC=C(C=C1)O)O.Cl
Structure:
CAS RN: 33813-84-2
CAS Name: 7-[2-(3-hydroxy-3-methyloctyl)-5-oxocyclopentyl]heptanoic acid
OPENEYE Name: 7-[2-(3-hydroxy-3-methyl-octyl)-5-oxo-cyclopentyl]heptanoic acid
IUPAC Name: 7-[2-(3-hydroxy-3-methyloctyl)-5-oxocyclopentyl]heptanoic acid
SYSTEMATIC NAME: 7-[2-(3-methyl-3-oxidanyl-octyl)-5-oxidanylidene-cyclopentyl]heptanoic acid
MOLECULAR FORMULA: C21H38O4
MOLECULAR WEIGHT: 354.52402
SMILES: CCCCCC(C)(CCC1CCC(=O)C1CCCCCCC(=O)O)O
Structure:
CAS RN: 86398-53-0
CAS Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-(phenylmethyl)ammonium benzoate hydrate
OPENEYE Name: benzyl-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-diethyl-ammonium benzoate hydrate
IUPAC Name: benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium benzoate hydrate
SYSTEMATIC NAME: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-diethyl-(phenylmethyl)azanium benzoate hydrate
MOLECULAR FORMULA: C28H36N2O4
MOLECULAR WEIGHT: 464.59644
SMILES: CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C.C1=CC=C(C=C1)C(=O)[O-].O
Structure:
CAS RN: 15686-74-5
CAS Name: 10-[3-(4-cyclopropyl-1-piperazinyl)propyl]-2-(trifluoromethyl)phenothiazine dihydrochloride
OPENEYE Name: 10-[3-(4-cyclopropylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine dihydrochloride
IUPAC Name: 10-[3-(4-cyclopropylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine dihydrochloride
SYSTEMATIC NAME: 10-[3-(4-cyclopropylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine dihydrochloride
MOLECULAR FORMULA: C23H28Cl2F3N3S
MOLECULAR WEIGHT: 506.45473
SMILES: C1CC1N2CCN(CC2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F.Cl.Cl
Structure:
CAS RN: 5585-93-3
CAS Name: 2-[4-[3-(10-pyrido[3,2-b][1,4]benzothiazinyl)propyl]-1-piperazinyl]ethanol
OPENEYE Name: 2-[4-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)piperazin-1-yl]ethanol
IUPAC Name: 2-[4-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)piperazin-1-yl]ethanol
SYSTEMATIC NAME: 2-[4-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropyl)piperazin-1-yl]ethanol
MOLECULAR FORMULA: C20H26N4OS
MOLECULAR WEIGHT: 370.51164
SMILES: C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2N=CC=C4)CCO
Structure:
CAS RN: 84455-52-7
CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-1H-pyrimidin-6-one; methanesulfonic acid
OPENEYE Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one; methanesulfonic acid
IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one; methanesulfonic acid
SYSTEMATIC NAME: 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one; methanesulfonic acid
MOLECULAR FORMULA: C20H25N5O6S2
MOLECULAR WEIGHT: 495.5724
SMILES: CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC4=C(C=C3)OCO4.CS(=O)(=O)O
Structure:
CAS RN: 55242-74-5
CAS Name: 3-(phenoxymethyl)-1,2-dihydropyrido[3,4-e][1,2,4]triazine hydrochloride
OPENEYE Name: 3-(phenoxymethyl)-1,2-dihydropyrido[3,4-e][1,2,4]triazine hydrochloride
IUPAC Name: 3-(phenoxymethyl)-1,2-dihydropyrido[3,4-e][1,2,4]triazine hydrochloride
SYSTEMATIC NAME: 3-(phenoxymethyl)-1,2-dihydropyrido[3,4-e][1,2,4]triazine hydrochloride
MOLECULAR FORMULA: C13H13ClN4O
MOLECULAR WEIGHT: 276.72152
SMILES: C1=CC=C(C=C1)OCC2=NC3=C(C=CN=C3)NN2.Cl
Structure:
CAS RN: 6577-41-9
CAS Name: 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]-1-methylpiperidin-1-ium iodide
OPENEYE Name: 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]-1-methyl-piperidin-1-ium iodide
IUPAC Name: 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]-1-methylpiperidin-1-ium iodide
SYSTEMATIC NAME: 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]-1-methyl-piperidin-1-ium iodide
MOLECULAR FORMULA: C22H34INO2
MOLECULAR WEIGHT: 471.41533
SMILES: C[N+]1(CCCCC1)CC2COC(O2)(C3CCCCC3)C4=CC=CC=C4.[I-]
Structure:
CAS RN: 67939-83-7
CAS Name: 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]-1-methylpiperidin-1-ium iodide
OPENEYE Name: 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]-1-methyl-piperidin-1-ium iodide
IUPAC Name: 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]-1-methylpiperidin-1-ium iodide
SYSTEMATIC NAME: 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]-1-methyl-piperidin-1-ium iodide
MOLECULAR FORMULA: C22H34INO2
MOLECULAR WEIGHT: 471.41533
SMILES: C[N+]1(CCCCC1)CC2COC(O2)(C3CCCCC3)C4=CC=CC=C4.[I-]
Structure:
CAS RN: 34785-07-4
CAS Name: 3-butenoic acid; 2-methyl-2-propenoic acid; 2-propenoic acid butyl ester
OPENEYE Name: but-3-enoic acid; butyl prop-2-enoate; 2-methylprop-2-enoic acid
IUPAC Name: but-3-enoic acid; butyl prop-2-enoate; 2-methylprop-2-enoic acid
SYSTEMATIC NAME: but-3-enoic acid; butyl prop-2-enoate; 2-methylprop-2-enoic acid
MOLECULAR FORMULA: C15H24O6
MOLECULAR WEIGHT: 300.34746
SMILES: CCCCOC(=O)C=C.CC(=C)C(=O)O.C=CCC(=O)O
Structure:
CAS RN: 40806-03-9
CAS Name: (3S,8S,9S,10R,13S,14S,16R)-10,13-dimethyl-17-[(1S)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
OPENEYE Name: (3S,8S,9S,10R,13S,14S,16R)-10,13-dimethyl-17-[(1S)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
IUPAC Name: (3S,8S,9S,10R,13S,14S,16R)-10,13-dimethyl-17-[(1S)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
SYSTEMATIC NAME: (3S,8S,9S,10R,13S,14S,16R)-10,13-dimethyl-17-[(1S)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
MOLECULAR FORMULA: C27H43NO2
MOLECULAR WEIGHT: 413.63582
SMILES: C[C@H]1CCC(=NC1)[C@@H](C)C2[C@@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)O
Structure:
CAS RN: 29271-49-6
CAS Name: (3S,8S,9S,10R,13S,14S,16R)-10,13-dimethyl-17-[(1S)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
OPENEYE Name: (3S,8S,9S,10R,13S,14S,16R)-10,13-dimethyl-17-[(1S)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
IUPAC Name: (3S,8S,9S,10R,13S,14S,16R)-10,13-dimethyl-17-[(1S)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
SYSTEMATIC NAME: (3S,8S,9S,10R,13S,14S,16R)-10,13-dimethyl-17-[(1S)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
MOLECULAR FORMULA: C27H43NO2
MOLECULAR WEIGHT: 413.63582
SMILES: C[C@H]1CCC(=NC1)[C@@H](C)C2[C@@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)O
Structure:
CAS RN: 14271-04-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H45N5O8S
MOLECULAR WEIGHT: 659.7934
SMILES: CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O.CS(=O)(=O)O
Structure:
CAS RN: 34725-05-8
CAS Name: (2R)-1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)-2-propanol hydrochloride
OPENEYE Name: (2R)-1-(2-allyloxyphenoxy)-3-(isopropylamino)propan-2-ol hydrochloride
IUPAC Name: (2R)-1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol hydrochloride
SYSTEMATIC NAME: (2R)-1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol hydrochloride
MOLECULAR FORMULA: C15H24ClNO3
MOLECULAR WEIGHT: 301.80896
SMILES: CC(C)NC[C@H](COC1=CC=CC=C1OCC=C)O.Cl
Structure:
CAS RN: 29199-61-9
CAS Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-methylammonium
OPENEYE Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl]-diethyl-methyl-ammonium
IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-methylazanium
SYSTEMATIC NAME: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-diethyl-methyl-azanium
MOLECULAR FORMULA: C15H25N2O+
MOLECULAR WEIGHT: 249.3718
SMILES: CC[N+](C)(CC)CC(=O)NC1=C(C=CC=C1C)C
Structure:
CAS RN: 29199-61-9
CAS Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-methylammonium chloride
OPENEYE Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl]-diethyl-methyl-ammonium chloride
IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-methylazanium chloride
SYSTEMATIC NAME: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-diethyl-methyl-azanium chloride
MOLECULAR FORMULA: C15H25ClN2O
MOLECULAR WEIGHT: 284.8248
SMILES: CC[N+](C)(CC)CC(=O)NC1=C(C=CC=C1C)C.[Cl-]
Structure:
CAS RN: 3470-12-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: FHO3S
MOLECULAR WEIGHT: 101.075705
SMILES: [2H]OS(=O)(=O)F
Structure:
CAS RN: 169741-71-3
CAS Name: 1-butene; 1-propene
OPENEYE Name: but-1-ene; prop-1-ene
IUPAC Name: but-1-ene; prop-1-ene
SYSTEMATIC NAME: but-1-ene; prop-1-ene
MOLECULAR FORMULA: C7H14
MOLECULAR WEIGHT: 98.18606
SMILES: CCC=C.CC=C
Structure:
CAS RN: 25035-79-4
CAS Name: 1-butene; 1-propene
OPENEYE Name: but-1-ene; prop-1-ene
IUPAC Name: but-1-ene; prop-1-ene
SYSTEMATIC NAME: but-1-ene; prop-1-ene
MOLECULAR FORMULA: C7H14
MOLECULAR WEIGHT: 98.18606
SMILES: CCC=C.CC=C
Structure:
CAS RN: 29154-49-2
CAS Name: benzene-1,4-dicarboxylic acid dimethyl ester; ethane-1,2-diol; 2-(2-hydroxyethoxy)ethanol
OPENEYE Name: dimethyl benzene-1,4-dicarboxylate; ethylene glycol; 2-(2-hydroxyethoxy)ethanol
IUPAC Name: dimethyl benzene-1,4-dicarboxylate; ethane-1,2-diol; 2-(2-hydroxyethoxy)ethanol
SYSTEMATIC NAME: dimethyl benzene-1,4-dicarboxylate; ethane-1,2-diol; 2-(2-hydroxyethyloxy)ethanol
MOLECULAR FORMULA: C16H26O9
MOLECULAR WEIGHT: 362.37224
SMILES: COC(=O)C1=CC=C(C=C1)C(=O)OC.C(CO)O.C(COCCO)O
Structure:
CAS RN: 29036-21-3
CAS Name: 2-[3,3-bis(2-hydroxyphenyl)propyl]phenol
OPENEYE Name: 2-[3,3-bis(2-hydroxyphenyl)propyl]phenol
IUPAC Name: 2-[3,3-bis(2-hydroxyphenyl)propyl]phenol
SYSTEMATIC NAME: 2-[3,3-bis(2-hydroxyphenyl)propyl]phenol
MOLECULAR FORMULA: C21H20O3
MOLECULAR WEIGHT: 320.3817
SMILES: C1=CC=C(C(=C1)CCC(C2=CC=CC=C2O)C3=CC=CC=C3O)O
Structure:
CAS RN: 224951-27-3
CAS Name: carbonic dichloride; 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol
OPENEYE Name: carbonyl dichloride; 2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxy-phenyl)-1-methyl-ethyl]phenol
IUPAC Name: carbonyl dichloride; 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol
SYSTEMATIC NAME: 4-[2-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propan-2-yl]-2,6-bis(bromanyl)phenol; carbonyl dichloride
MOLECULAR FORMULA: C16H12Br4Cl2O3
MOLECULAR WEIGHT: 642.78668
SMILES: CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br.C(=O)(Cl)Cl
Structure:
CAS RN: 28906-13-0
CAS Name: carbonic dichloride; 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol
OPENEYE Name: carbonyl dichloride; 2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxy-phenyl)-1-methyl-ethyl]phenol
IUPAC Name: carbonyl dichloride; 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol
SYSTEMATIC NAME: 4-[2-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propan-2-yl]-2,6-bis(bromanyl)phenol; carbonyl dichloride
MOLECULAR FORMULA: C16H12Br4Cl2O3
MOLECULAR WEIGHT: 642.78668
SMILES: CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br.C(=O)(Cl)Cl
Structure:
CAS RN: 3449-31-8
CAS Name: sulfuric acid [(3S,8R,9S,10R,13S,14S,16S)-3-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl] ester
OPENEYE Name: [(3S,8R,9S,10R,13S,14S,16S)-3-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl] hydrogen sulfate
IUPAC Name: [(3S,8R,9S,10R,13S,14S,16S)-3-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl] hydrogen sulfate
SYSTEMATIC NAME: [(3S,8R,9S,10R,13S,14S,16S)-10,13-dimethyl-3-oxidanyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl] hydrogen sulfate
MOLECULAR FORMULA: C19H28O6S
MOLECULAR WEIGHT: 384.48702
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H](C4=O)OS(=O)(=O)O)C)O
Structure:
CAS RN: 34491-13-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H32O6
MOLECULAR WEIGHT: 368.46448
SMILES: C[C@]1(CC23C[C@@H]1CC[C@H]2[C@@]([C@@H]4[C@H]5[C@H](O5)C([C@]4([C@@H]([C@H]3O)O)O)(C)C)(C)O)O
Structure:
CAS RN: 28836-75-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H32O6
MOLECULAR WEIGHT: 368.46448
SMILES: C[C@]1(CC23C[C@@H]1CC[C@H]2[C@@]([C@@H]4[C@H]5[C@H](O5)C([C@]4([C@@H]([C@H]3O)O)O)(C)C)(C)O)O
Structure:
CAS RN: 34467-12-4
CAS Name: (1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
OPENEYE Name: (1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
IUPAC Name: (1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
SYSTEMATIC NAME: (1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
MOLECULAR FORMULA: C8H10O5
MOLECULAR WEIGHT: 186.162
SMILES: C1C[C@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)O)C(=O)O
Structure:
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