Chem
J-GLOBAL ID:200907004426662901   Nikkaji number:J1.413.375E

2α,7-Dibromo-17β-acetoxyandrosta-4,6-diene-3-one

2α,7-ジブロモ-17β-アセトキシアンドロスタ-4,6-ジエン-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: C21H26Br2O3
Molecular formula furigana: C21-H26-BR2-O3
Molecular weight: 486.244
InChI: InChI=1S/C21H26Br2O3/c1-11(24)26-18-5-4-13-19-14(6-7-20(13,18)2)21(3)10-16(23)17(25)9-12(21)8-15(19)22/h8-9,13-14,16,18-19H,4-7,10H2,1-3H3/t13-,14-,16+,18-,19-,20-,21-/m0/s1
InChI key: QIMBMTMQKDZMHE-OZGUPVHWSA-N
SMILES: CC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)C[C@@H](Br)C(=O)C=C1C=C3Br
Systematic name  (3):
  • 2α,7-ジブロモ-17β-アセトキシアンドロスタ-4,6-ジエン-3-オン
  • (1S,3aS,3bR,8R,9aR,9bS,11aS)-4,8-ジブロモ-9a,11a-ジメチル-7-オキソ-1H,2H,3H,3aH,3bH,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,8R,9aR,9bS,11aS)-4,8-dibromo-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
Other name (1):
  • 2α,7-Dibromo-17β-acetoxyandrosta-4,6-diene-3-one
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