Chem
J-GLOBAL ID：201007015865896822   Nikkaji number：J2.790.760A

3-Ethynyl-5α-androstane-3β,17β-diol

3-エチニル-5α-アンドロスタン-3β,17β-ジオール
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C21H32O2
Molecular formula furigana： C21-H32-O2
Molecular weight： 316.485
InChI： InChI=1S/C21H32O2/c1-4-21(23)12-11-19(2)14(13-21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)19/h1,14-18,22-23H,5-13H2,2-3H3/t14-,15-,16-,17-,18-,19-,20-,21-/m0/s1
InChI key： FOCZFVYLRBKYGM-QKSWPAOXSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(CC[C@]34C)C#C)[C@@H]1CC[C@@H]2O
Systematic name  (3)：
  • 3-エチニル-5α-アンドロスタン-3β,17β-ジオール
  • (1S,3aS,3bR,5aS,7S,9aS,9bS,11aS)-7-エチニル-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1,7-ジオール
  • (1S,3aS,3bR,5aS,7S,9aS,9bS,11aS)-7-ethynyl-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-1,7-diol
Other name (1)：
  • 3-Ethynyl-5α-androstane-3β,17β-diol
KEGG COMPOUND： C15199
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