(R)-Methyl 4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-acetoxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate (HCID 21632880)

基本情報

標準SMILES: COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C
InChIKey: XHQVLSIVZIPGLE-KXKMLXBFSA-N
分子式: C27H42O5
平均分子量: 446.6 g/mol

名称と識別子

優先名称: (R)-Methyl 4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-acetoxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
IUPAC: methyl (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

名称と別名

(R)-Methyl 4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-acetoxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate5143-55-5Methyl 3-acetoxy-12-ketocholanatemethyl (4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-(acetyloxy)-9a,11a-dimethyl-11-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoateSCHEMBL329694Methyl acetyl-12-ketolithocholate5.beta.-Cholan-24-oic acid, 3.alpha.-hydroxy-12-oxo-, methyl ester, acetateCholan-24-oic acid, 3-(acetyloxy)-12-oxo-, methyl ester, (3.alpha.,5.beta.)-CS-0080110Methyl 3-(acetyloxy)-12-oxocholan-24-oate #Methyl 3alpha-acetoxy-5beta-cholan-12-one-24-oate