Chem
J-GLOBAL ID：201007044982254785   Nikkaji number：J2.792.840D

11α,17β-Dihydroxy-1,4-androstadien-3-one

11α,17β-ジヒドロキシ-1,4-アンドロスタジエン-3-オン
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： C19H26O3
Molecular formula furigana： C19-H26-O3
Molecular weight： 302.414
InChI： InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h7-9,13-17,21-22H,3-6,10H2,1-2H3/t13-,14-,15+,16-,17+,18-,19-/m0/s1
InChI key： XBDIPICFPCBNBB-RUOITVIXSA-N
SMILES： C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O
Systematic name  (3)：
  • 11α,17β-ジヒドロキシ-1,4-アンドロスタジエン-3-オン
  • (1S,3aS,3bS,9aR,9bS,10R,11aS)-1,10-ジヒドロキシ-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
  • (1S,3aS,3bS,9aR,9bS,10R,11aS)-1,10-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (2)：
  • 11α,17β-Dihydroxy-1,4-androstadiene-3-one
  • 11α,17β-Dihydroxy-1,4-androstadien-3-one
KEGG COMPOUND： C15103
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