Chem
J-GLOBAL ID：201007049714161547   Nikkaji number：J2.790.792J

1α,5α-Dimercaptoandrostane-3α,17β-diol

1α,5-ジメルカプト-5α-アンドロスタン-3α,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： C19H32O2S2
Molecular formula furigana： C19-H32-O2-S2
Molecular weight： 356.580
InChI： InChI=1S/C19H32O2S2/c1-17-7-6-14-12(13(17)3-4-15(17)21)5-8-19(23)10-11(20)9-16(22)18(14,19)2/h11-16,20-23H,3-10H2,1-2H3/t11-,12+,13+,14+,15+,16+,17+,18+,19-/m1/s1
InChI key： KIBKUPGGOWPDIJ-WEGHJKGXSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CC[C@@]4(S)C[C@H](O)C[C@H](S)[C@]34C)[C@@H]1CC[C@@H]2O
Systematic name  (3)：
  • 1α,5-ジメルカプト-5α-アンドロスタン-3α,17β-ジオール
  • (1S,3aS,3bS,5aR,7R,9S,9aS,9bS,11aS)-9a,11a-ジメチル-5a,9-ジスルファニル-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,3bS,5aR,7R,9S,9aS,9bS,11aS)-9a,11a-dimethyl-5a,9-disulfanyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-1,7-diol
Other name (2)：
  • 1α,5-Dimercapto-5α-androstane-3α,17β-diol
  • 1α,5α-Dimercaptoandrostane-3α,17β-diol
KEGG COMPOUND： C14960
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