Chem
J-GLOBAL ID:200907034017906056   Nikkaji number:J80.581E

Androst-4-en-3-one

アンドロスタ-4-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: C19H28O
Molecular formula furigana: C19-H28-O
Molecular weight: 272.432
InChI: InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h12,15-17H,3-11H2,1-2H3/t15-,16-,17-,18-,19-/m0/s1
InChI key: MSEZLHAVPJYYIQ-VMXHOPILSA-N
SMILES: C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@]3(C)[C@H]1CC2
Systematic name  (3):
  • アンドロスタ-4-エン-3-オン
  • (3aS,3bS,9aR,9bS,11aS)-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
  • (3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (1):
  • Androst-4-en-3-one
CAS registry number: 2872-90-4
KEGG COMPOUND: C00619
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