Chem
J-GLOBAL ID：200907036332859980   Nikkaji number：J1.413.378J

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

2α,6β,7α-トリブロモ-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： C21H27Br3O3
Molecular formula furigana： C21-H27-BR3-O3
Molecular weight： 567.156
InChI： InChI=1S/C21H27Br3O3/c1-10(25)27-16-5-4-11-17-12(6-7-20(11,16)2)21(3)9-14(22)15(26)8-13(21)18(23)19(17)24/h8,11-12,14,16-19H,4-7,9H2,1-3H3/t11-,12-,14+,16-,17-,18-,19-,20-,21+/m0/s1
InChI key： LALPIZXSGIVXQT-YFYHUEBKSA-N
SMILES： CC(=O)O[C@H]1CC[C@H]2[C@@H]3[C@H](Br)[C@@H](Br)C4=CC(=O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 2α,6β,7α-トリブロモ-17β-アセトキシアンドロスタ-4-エン-3-オン
  • (1S,3aS,3bR,4S,5S,8R,9aR,9bS,11aS)-4,5,8-トリブロモ-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,4S,5S,8R,9aR,9bS,11aS)-4,5,8-tribromo-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,6β,7α-Tribromo-17β-acetoxyandrosta-4-ene-3-one
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