Chem
J-GLOBAL ID：200907029496390375   Nikkaji number：J2.743.853I

1,2-Didehydroandrostane-3-one

1,2-ジデヒドロアンドロスタン-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/h7,11,13,15-17H,3-6,8-10,12H2,1-2H3/t13?,15-,16-,17-,18-,19-/m0/s1
InChI key： LYQLGOGKDQKQAX-OJEXMJBDSA-N
SMILES： C[C@@]12CCC[C@H]1[C@@H]1CCC3CC(=O)C=C[C@]3(C)[C@H]1CC2
Systematic name  (3)：
  • 1,2-ジデヒドロアンドロスタン-3-オン
  • (3aS,3bS,9aR,9bS,11aS)-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,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,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (1)：
  • 1,2-Didehydroandrostane-3-one
KEGG COMPOUND： C02941
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