Chem
J-GLOBAL ID：200907000174492360   Nikkaji number：J1.413.379H

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

2α,4,6β,7α-テトラブロモ-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： C21H26Br4O3
Molecular formula furigana： C21-H26-BR4-O3
Molecular weight： 646.052
InChI： InChI=1S/C21H26Br4O3/c1-9(26)28-13-5-4-10-14-11(6-7-20(10,13)2)21(3)8-12(22)19(27)18(25)15(21)17(24)16(14)23/h10-14,16-17H,4-8H2,1-3H3/t10-,11-,12+,13-,14-,16-,17-,20-,21+/m0/s1
InChI key： DTLLMJDGNNANCQ-JZXAJDRWSA-N
SMILES： CC(=O)O[C@H]1CC[C@H]2[C@@H]3[C@H](Br)[C@@H](Br)C4=C(Br)C(=O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 2α,4,6β,7α-テトラブロモ-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)-4,5,6,8-テトラブロモ-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)-4,5,6,8-tetrabromo-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,4,6β,7α-Tetrabromo-17β-acetoxyandrosta-4-ene-3-one
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