Chem
J-GLOBAL ID：200907069524675188   Nikkaji number：J1.413.380A

2,2,7α-Tribromo-17β-acetoxyandrosta-4-ene-3,6-dione

2,2,7α-トリブロモ-17β-アセトキシアンドロスタ-4-エン-3,6-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： C21H25Br3O4
Molecular formula furigana： C21-H25-BR3-O4
Molecular weight： 581.139
InChI： InChI=1S/C21H25Br3O4/c1-10(25)28-15-5-4-11-16-12(6-7-19(11,15)2)20(3)9-21(23,24)14(26)8-13(20)18(27)17(16)22/h8,11-12,15-17H,4-7,9H2,1-3H3/t11-,12-,15-,16-,17-,19-,20+/m0/s1
InChI key： BOJRHZHWSOALPP-WJVIRGJQSA-N
SMILES： CC(=O)O[C@H]1CC[C@H]2[C@@H]3[C@H](Br)C(=O)C4=CC(=O)C(Br)(Br)C[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 2,2,7α-トリブロモ-17β-アセトキシアンドロスタ-4-エン-3,6-ジオン
  • (1S,3aS,3bR,4S,9aR,9bS,11aS)-4,8,8-トリブロモ-9a,11a-ジメチル-5,7-ジオキソ-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,4S,9aR,9bS,11aS)-4,8,8-tribromo-9a,11a-dimethyl-5,7-dioxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
Other name (1)：
  • 2,2,7α-Tribromo-17β-acetoxyandrosta-4-ene-3,6-dione
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