Chem
J-GLOBAL ID：201007075402528231   Nikkaji number：J2.794.381K

9-Chloro-17β-hydroxy-17-methylandrost-4-ene-3,11-dione

9-クロロ-17β-ヒドロキシ-17-メチルアンドロスタ-4-エン-3,11-ジオン
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： C20H27ClO3
Molecular formula furigana： C20-H27-CL-O3
Molecular weight： 350.880
InChI： InChI=1S/C20H27ClO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-15,24H,4-9,11H2,1-3H3/t14-,15-,17-,18-,19-,20-/m0/s1
InChI key： XRYZUTZZFFLDKN-MWTXUKJESA-N
SMILES： C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Cl)C(=O)C[C@]12C
Systematic name  (3)：
  • 9-クロロ-17β-ヒドロキシ-17-メチルアンドロスタ-4-エン-3,11-ジオン
  • (1S,3aS,3bS,9aS,9bR,11aS)-9b-クロロ-1-ヒドロキシ-1,9a,11a-トリメチル-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-7,10-ジオン
  • (1S,3aS,3bS,9aS,9bR,11aS)-9b-chloro-1-hydroxy-1,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-dione
Other name (2)：
  • 9-Chloro-17β-hydroxy-17-methylandrosta-4-ene-3,11-dione
  • 9-Chloro-17β-hydroxy-17-methylandrost-4-ene-3,11-dione
KEGG COMPOUND： C15407
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