Chem
J-GLOBAL ID：200907001721093715   Nikkaji number：J224.839E

17β-(Benzoyloxy)androsta-1,4-dien-3-one

17β-(ベンゾイルオキシ)アンドロスタ-1,4-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： C26H30O3
Molecular formula furigana： C26-H30-O3
Molecular weight： 390.523
InChI： InChI=1S/C26H30O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,12,14,16,20-23H,8-11,13,15H2,1-2H3/t20-,21-,22-,23-,25-,26-/m0/s1
InChI key： QYOIZDDZJSQWGQ-IXKNJLPQSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1
Systematic name  (3)：
  • 17β-(ベンゾイルオキシ)アンドロスタ-1,4-ジエン-3-オン
  • (1S,3aS,3bR,9aR,9bS,11aS)-9a,11a-ジメチル-7-オキソ-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル ベンゾアート
  • (1S,3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl benzoate
Other name (1)：
  • 17β-(Benzoyloxy)androsta-1,4-dien-3-one
CAS registry number： 19041-66-8
Regulation number (1)：
  • EINECS2427744
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