CAS RN: 7335-65-1
CAS Name: acetic acid; hydrazine
OPENEYE Name: acetic acid; hydrazine
IUPAC Name: acetic acid; hydrazine
SYSTEMATIC NAME: diazane; ethanoic acid
MOLECULAR FORMULA: C2H8N2O2
MOLECULAR WEIGHT: 92.09712
SMILES: CC(=O)O.NN
Structure:
CAS RN: 13728-11-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H18O
MOLECULAR WEIGHT: 190.28142
SMILES: C1C2CC(C1CO)C3C2C4CC3C=C4
Structure:
CAS RN: 7329-04-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H18O
MOLECULAR WEIGHT: 190.28142
SMILES: C1C2CC(C1CO)C3C2C4CC3C=C4
Structure:
CAS RN: 7542-37-2
CAS Name: (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]oxy]oxane-3,4-diol
OPENEYE Name: (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-hydroxy-cyclohexoxy]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-tetrah
IUPAC Name: (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
SYSTEMATIC NAME: (2S,3S,4R,5R,6R)-2-(aminomethyl)-5-azanyl-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-bis(azanyl)-2-[(2S,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxane-3,4-d
MOLECULAR FORMULA: C23H45N5O14
MOLECULAR WEIGHT: 615.6285
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N
Structure:
CAS RN: 84420-34-8
CAS Name: (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]oxy]oxane-3,4-diol
OPENEYE Name: (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-hydroxy-cyclohexoxy]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-tetrah
IUPAC Name: (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
SYSTEMATIC NAME: (2S,3S,4R,5R,6R)-2-(aminomethyl)-5-azanyl-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-bis(azanyl)-2-[(2S,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxane-3,4-d
MOLECULAR FORMULA: C23H45N5O14
MOLECULAR WEIGHT: 615.6285
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N
Structure:
CAS RN: 5495-84-1
CAS Name: (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]oxy]oxane-3,4-diol sulfate
OPENEYE Name: (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-hydroxy-cyclohexoxy]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-tetrah
IUPAC Name: (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol sulfate
SYSTEMATIC NAME: (2S,3S,4R,5R,6R)-2-(aminomethyl)-5-azanyl-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-bis(azanyl)-2-[(2S,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxane-3,4-d
MOLECULAR FORMULA: C23H45N5O18S-2
MOLECULAR WEIGHT: 711.6911
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N.[O-]S(=O)(=O)[O-]
Structure:
CAS RN: 7205-49-4
CAS Name: (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]oxy]oxane-3,4-diol sulfate
OPENEYE Name: (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-hydroxy-cyclohexoxy]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-tetrah
IUPAC Name: (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol sulfate
SYSTEMATIC NAME: (2S,3S,4R,5R,6R)-2-(aminomethyl)-5-azanyl-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-bis(azanyl)-2-[(2S,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxane-3,4-d
MOLECULAR FORMULA: C23H45N5O18S-2
MOLECULAR WEIGHT: 711.6911
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N.[O-]S(=O)(=O)[O-]
Structure:
CAS RN: 7149-10-2
CAS Name: 4-(aminomethyl)-2-methoxyphenol hydrochloride
OPENEYE Name: 4-(aminomethyl)-2-methoxy-phenol hydrochloride
IUPAC Name: 4-(aminomethyl)-2-methoxyphenol hydrochloride
SYSTEMATIC NAME: 4-(aminomethyl)-2-methoxy-phenol hydrochloride
MOLECULAR FORMULA: C8H12ClNO2
MOLECULAR WEIGHT: 189.63938
SMILES: COC1=C(C=CC(=C1)CN)O.Cl
Structure:
CAS RN: 91025-05-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H20N2O2
MOLECULAR WEIGHT: 272.3422
SMILES: CN1C[C@@H](CC2([C@H]1CC3=CNC4=CC=CC2=C34)O)CO
Structure:
CAS RN: 139-42-4
CAS Name: cerium(3+); oxalate
OPENEYE Name: cerium(3+); oxalate
IUPAC Name: cerium(3+); oxalate
SYSTEMATIC NAME: cerium(3+); ethanedioate
MOLECULAR FORMULA: C6Ce2O12
MOLECULAR WEIGHT: 544.289
SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Ce+3].[Ce+3]
Structure:
CAS RN: 90397-38-9
CAS Name: 5-[(3S,6R,8S,9R,10R,13R,14R,17R)-3,6,8,14-tetrahydroxy-10,13-dimethyl-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-pyranone
OPENEYE Name: 5-[(3S,6R,8S,9R,10R,13R,14R,17R)-3,6,8,14-tetrahydroxy-10,13-dimethyl-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
IUPAC Name: 5-[(3S,6R,8S,9R,10R,13R,14R,17R)-3,6,8,14-tetrahydroxy-10,13-dimethyl-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
SYSTEMATIC NAME: 5-[(3S,6R,8S,9R,10R,13R,14R,17R)-10,13-dimethyl-3,6,8,14-tetrakis(oxidanyl)-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
MOLECULAR FORMULA: C24H32O6
MOLECULAR WEIGHT: 416.50728
SMILES: C[C@]12CC[C@@H]3[C@]4(CC[C@@H](C=C4[C@@H](C[C@]3([C@]1(CC[C@@H]2C5=COC(=O)C=C5)O)O)O)O)C
Structure:
CAS RN: 90269-10-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26O7
MOLECULAR WEIGHT: 378.41624
SMILES: C[C@]1(CCC[C@@]2([C@@H]1[C@@H](C34[C@H]2CC[C@@](C3)(C(=C)C4)O)C(=O)O)C(=O)O)C(=O)O
Structure:
CAS RN: 6906-38-3
CAS Name: (2S,3R,4S,5S,6R)-2-[[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol chloride
OPENEYE Name: (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol chloride
IUPAC Name: (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride
SYSTEMATIC NAME: (2S,3R,4S,5S,6R)-2-[5,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride
MOLECULAR FORMULA: C21H21ClO12
MOLECULAR WEIGHT: 500.83724
SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O.[Cl-]
Structure:
CAS RN: 26984-07-6
CAS Name: (2S,3R,4S,5S,6R)-2-[[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol chloride
OPENEYE Name: (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol chloride
IUPAC Name: (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride
SYSTEMATIC NAME: (2S,3R,4S,5S,6R)-2-[5,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride
MOLECULAR FORMULA: C21H21ClO12
MOLECULAR WEIGHT: 500.83724
SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O.[Cl-]
Structure:
CAS RN: 80384-98-1
CAS Name: 1-(1,3-benzodioxol-5-yl)-1-propanol
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)propan-1-ol
IUPAC Name: 1-(1,3-benzodioxol-5-yl)propan-1-ol
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)propan-1-ol
MOLECULAR FORMULA: C10H12O3
MOLECULAR WEIGHT: 180.20048
SMILES: CCC(C1=CC2=C(C=C1)OCO2)O
Structure:
CAS RN: 6882-68-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H24N2O
MOLECULAR WEIGHT: 248.36386
SMILES: C1C[C@@H]2[C@H]3CCCN4[C@H]3[C@H](CCC4)CN2C(=O)C1
Structure:
CAS RN: 80220-33-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H27N3O3
MOLECULAR WEIGHT: 357.44668
SMILES: C1C[C@@H]2[C@H]3C[C@@H](CN2C(=O)C1)[C@@H]4C[C@H](CCN4C3)OC(=O)C5=CC=CN5
Structure:
CAS RN: 6856-31-1
CAS Name: 1,1-diphenyl-3-(1-piperidinyl)-1-propanol; methanesulfonic acid
OPENEYE Name: 1,1-diphenyl-3-(1-piperidyl)propan-1-ol; methanesulfonic acid
IUPAC Name: 1,1-diphenyl-3-piperidin-1-ylpropan-1-ol; methanesulfonic acid
SYSTEMATIC NAME: 1,1-diphenyl-3-piperidin-1-yl-propan-1-ol; methanesulfonic acid
MOLECULAR FORMULA: C21H29NO4S
MOLECULAR WEIGHT: 391.52426
SMILES: CS(=O)(=O)O.C1CCN(CC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O
Structure:
CAS RN: 79869-74-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H36O6
MOLECULAR WEIGHT: 468.58184
SMILES: CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=CC6=O)C)O5)C)CO
Structure:
CAS RN: 12239-53-1
CAS Name: dicopper trisodium 2-[[1-oxido-6-[[[[5-oxido-6-(2-oxido-5-sulfonatophenyl)azo-7-sulfonato-2-naphthalenyl]amino]-oxomethyl]amino]-3-sulfonato-2-naphthalenyl]azo]benzoate
OPENEYE Name: dicopper trisodium 2-[[1-oxido-6-[[5-oxido-6-(2-oxido-5-sulfonato-phenyl)azo-7-sulfonato-2-naphthyl]carbamoylamino]-3-sulfonato-2-naphthyl]azo]benzoate
IUPAC Name: dicopper trisodium 2-[[1-oxido-6-[[5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]carbamoylamino]-3-sulfonatonaphthalen-2-yl]diazenyl]benzoate
SYSTEMATIC NAME: dicopper trisodium 2-[[1-oxidanidyl-6-[[5-oxidanidyl-6-[(2-oxidanidyl-5-sulfonato-phenyl)diazenyl]-7-sulfonato-naphthalen-2-yl]carbamoylamino]-3-sulfonato-naphthalen-2-yl]diazenyl]benzoate
MOLECULAR FORMULA: C34H17Cu2N6Na3O15S3
MOLECULAR WEIGHT: 1041.78629
SMILES: C1=CC=C(C(=C1)C(=O)[O-])N=NC2=C(C=C3C=C(C=CC3=C2[O-])NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)[O-])N=NC6=C(C=CC(=C6)S(=O)(=O)[O-])[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]
Structure:
CAS RN: 6837-87-2
CAS Name: dicopper trisodium 2-[[1-oxido-6-[[[[5-oxido-6-(2-oxido-5-sulfonatophenyl)azo-7-sulfonato-2-naphthalenyl]amino]-oxomethyl]amino]-3-sulfonato-2-naphthalenyl]azo]benzoate
OPENEYE Name: dicopper trisodium 2-[[1-oxido-6-[[5-oxido-6-(2-oxido-5-sulfonato-phenyl)azo-7-sulfonato-2-naphthyl]carbamoylamino]-3-sulfonato-2-naphthyl]azo]benzoate
IUPAC Name: dicopper trisodium 2-[[1-oxido-6-[[5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]carbamoylamino]-3-sulfonatonaphthalen-2-yl]diazenyl]benzoate
SYSTEMATIC NAME: dicopper trisodium 2-[[1-oxidanidyl-6-[[5-oxidanidyl-6-[(2-oxidanidyl-5-sulfonato-phenyl)diazenyl]-7-sulfonato-naphthalen-2-yl]carbamoylamino]-3-sulfonato-naphthalen-2-yl]diazenyl]benzoate
MOLECULAR FORMULA: C34H17Cu2N6Na3O15S3
MOLECULAR WEIGHT: 1041.78629
SMILES: C1=CC=C(C(=C1)C(=O)[O-])N=NC2=C(C=C3C=C(C=CC3=C2[O-])NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)[O-])N=NC6=C(C=CC(=C6)S(=O)(=O)[O-])[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]
Structure:
CAS RN: 78859-42-4
CAS Name: acetic acid [(3S,5S,6R,8R,9S,10R,13S,14S)-10-(deuteriomethyl)-6-hydroxy-13-methyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,5S,6R,8R,9S,10R,13S,14S)-10-(deuteriomethyl)-6-hydroxy-13-methyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(3S,5S,6R,8R,9S,10R,13S,14S)-10-(deuteriomethyl)-6-hydroxy-13-methyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,5S,6R,8R,9S,10R,13S,14S)-10-(deuteriomethyl)-13-methyl-6-oxidanyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C21H32O4
MOLECULAR WEIGHT: 349.482542
SMILES: [2H]C[C@]12CC[C@@H](C[C@@H]1[C@@H](C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O)OC(=O)C
Structure:
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