Chem
J-GLOBAL ID:200907051522051962   Nikkaji number:J1.247.802J

16α-Bromo-17-oxo-5α-androstane-3β-ol acetate

16α-ブロモ-17-オキソ-5α-アンドロスタン-3β-オールアセタート
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: C21H31BrO3
Molecular formula furigana: C21-H31-BR-O3
Molecular weight: 411.380
InChI: InChI=1S/C21H31BrO3/c1-12(23)25-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(22)19(21)24/h13-18H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18+,20-,21-/m0/s1
InChI key: VJGLIYQCQCELBZ-RCDSDNGVSA-N
SMILES: CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H](Br)C(=O)[C@@]4(C)CC[C@H]23)C1
Systematic name  (3):
  • 16α-ブロモ-17-オキソ-5α-アンドロスタン-3β-オールアセタート
  • (2R,3aS,3bR,5aS,7S,9aS,9bS,11aS)-2-ブロモ-9a,11a-ジメチル-1-オキソ-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-イル アセタート
  • (2R,3aS,3bR,5aS,7S,9aS,9bS,11aS)-2-bromo-9a,11a-dimethyl-1-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl acetate
Other name (1):
  • 16α-Bromo-17-oxo-5α-androstane-3β-ol acetate
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