Chem
J-GLOBAL ID：200907014207672140   Nikkaji number：J1.039.081H

4-Bromo-17β-acetoxyandrosta-4-ene-3-one

4-ブロモ-17β-アセトキシアンドロスタ-4-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： C21H29BrO3
Molecular formula furigana： C21-H29-BR-O3
Molecular weight： 409.364
InChI： InChI=1S/C21H29BrO3/c1-12(23)25-18-7-6-14-13-4-5-16-19(22)17(24)9-11-20(16,2)15(13)8-10-21(14,18)3/h13-15,18H,4-11H2,1-3H3/t13-,14-,15-,18-,20+,21-/m0/s1
InChI key： GAGLMZCSVIYGOY-KUJXMBTLSA-N
SMILES： CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Br)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 4-ブロモ-17β-アセトキシアンドロスタ-4-エン-3-オン
  • (1S,3aS,3bR,9aR,9bS,11aS)-6-ブロモ-9a,11a-ジメチル-7-オキソ-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-イル アセタート
  • (1S,3aS,3bR,9aR,9bS,11aS)-6-bromo-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
Other name (1)：
  • 4-Bromo-17β-acetoxyandrosta-4-ene-3-one
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