Chem
J-GLOBAL ID:200907051535727922   Nikkaji number:J1.863.342F

3α-(Benzoyloxy)-17-bromo-5α-androsta-16-ene

3α-(ベンゾイルオキシ)-17-ブロモ-5α-アンドロスタ-16-エン
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: C26H33BrO2
Molecular formula furigana: C26-H33-BR-O2
Molecular weight: 457.452
InChI: InChI=1S/C26H33BrO2/c1-25-14-12-19(29-24(28)17-6-4-3-5-7-17)16-18(25)8-9-20-21-10-11-23(27)26(21,2)15-13-22(20)25/h3-7,11,18-22H,8-10,12-16H2,1-2H3/t18-,19+,20-,21-,22-,25-,26-/m0/s1
InChI key: FJOOLAQHDDOSKK-CJVRWNGOSA-N
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](CC[C@]34C)OC(=O)c3ccccc3)[C@@H]1CC=C2Br
Systematic name  (3):
  • 3α-(ベンゾイルオキシ)-17-ブロモ-5α-アンドロスタ-16-エン
  • (3aS,3bR,5aS,7R,9aS,9bS,11aS)-1-ブロモ-9a,11a-ジメチル-3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル ベンゾアート
  • (3aS,3bR,5aS,7R,9aS,9bS,11aS)-1-bromo-9a,11a-dimethyl-3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl benzoate
Other name (1):
  • 3α-(Benzoyloxy)-17-bromo-5α-androsta-16-ene
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