Chem
J-GLOBAL ID：200907019371936567   Nikkaji number：J88.399I

Androst-5-en-17-one

アンドロスタ-5-エン-17-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： C19H28O
Molecular formula furigana： C19-H28-O
Molecular weight： 272.432
InChI： InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h6,14-16H,3-5,7-12H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
InChI key： AFGDPPHTYUQKOF-QAGGRKNESA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CC=C4CCCC[C@]34C)[C@@H]1CCC2=O
Systematic name  (3)：
  • アンドロスタ-5-エン-17-オン
  • (3aS,3bR,9aR,9bS,11aS)-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-オン
  • (3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
Other name (1)：
  • Androst-5-en-17-one
CAS registry number： 25824-80-0
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