21-Bromo-3alpha-hydroxy-5beta-pregnan-20-one (HCID 86754251)

基本情報

標準SMILES: C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CBr)CC[C@@H]12
InChIKey: YBCCBWKFKREPNU-DATPGIFZSA-N
分子式: C21H33BrO2
平均分子量: 397.4 g/mol

名称と識別子

優先名称: 21-Bromo-3alpha-hydroxy-5beta-pregnan-20-one
IUPAC: 2-bromo-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

名称と別名

SCHEMBL5491160YBCCBWKFKREPNU-DATPGIFZSA-N21-bromo-3alpha-hydroxy-5beta-pregnan-20-one3alpha-hydroxy-21-bromo-5beta-pregnan-20-one3alpha-hydroxy-21-bromo-5beta-pregnan-20-one-