Chem
J-GLOBAL ID：200907027289515505   Nikkaji number：J1.413.371B

2α,6α-Dibromo-17β-acetoxyandrosta-4-ene-3-one

2α,6α-ジブロモ-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： C21H28Br2O3
Molecular formula furigana： C21-H28-BR2-O3
Molecular weight： 488.260
InChI： InChI=1S/C21H28Br2O3/c1-11(24)26-19-5-4-13-12-8-16(22)15-9-18(25)17(23)10-21(15,3)14(12)6-7-20(13,19)2/h9,12-14,16-17,19H,4-8,10H2,1-3H3/t12-,13-,14-,16-,17+,19-,20-,21+/m0/s1
InChI key： GCQQPHGADCJALR-NNENYGIDSA-N
SMILES： CC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@H](Br)C4=CC(=O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 2α,6α-ジブロモ-17β-アセトキシアンドロスタ-4-エン-3-オン
  • (1S,3aS,3bR,5S,8R,9aR,9bS,11aS)-5,8-ジブロモ-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,5S,8R,9aR,9bS,11aS)-5,8-dibromo-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)：
  • 2α,6α-Dibromo-17β-acetoxyandrosta-4-ene-3-one
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