Chem
J-GLOBAL ID：200907026335154141   Nikkaji number：J2.641.538A

Androsta-4-ene-16α,17β-diol

アンドロスタ-4-エン-16α,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： C19H30O2
Molecular formula furigana： C19-H30-O2
Molecular weight： 290.447
InChI： InChI=1S/C19H30O2/c1-18-9-4-3-5-12(18)6-7-13-14(18)8-10-19(2)15(13)11-16(20)17(19)21/h5,13-17,20-21H,3-4,6-11H2,1-2H3/t13-,14+,15+,16-,17+,18+,19+/m1/s1
InChI key： DSYKSMXMQXYYEK-FPNLOETNSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@]34C)[C@@H]1C[C@@H](O)[C@@H]2O
Systematic name  (3)：
  • アンドロスタ-4-エン-16α,17β-ジオール
  • (1R,2R,3aS,3bR,9aR,9bS,11aS)-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1,2-ジオール
  • (1R,2R,3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,2-diol
Other name (1)：
  • Androsta-4-ene-16α,17β-diol
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