Chem
J-GLOBAL ID：200907013901203401   Nikkaji number：J47.318I

Androstenone

アンドロステノン
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/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m0/s1
InChI key： HFVMLYAGWXSTQI-QYXZOKGRSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC=C2
Systematic name  (3)：
  • 5α-アンドロスタ-16-エン-3-オン
  • (3aS,3bR,5aS,9aS,9bS,11aR)-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-オン
  • (3aS,3bR,5aS,9aS,9bS,11aR)-9a,11a-dimethyl-3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (5)：
  • 5α-Androst-16-en-3-one
  • アンドロステノン
  • Androstenone
  • 5α-アンドロステノン
  • 5α-Androstenone
CAS registry number： 18339-16-7
Regulation number (1)：
  • EINECS2422201
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