Chem
J-GLOBAL ID:200907090206130872   Nikkaji number:J18.529I

Topterone

トプテロン
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: C22H34O2
Molecular formula furigana: C22-H34-O2
Molecular weight: 330.512
InChI: InChI=1S/C22H34O2/c1-4-10-22(24)13-9-19-17-6-5-15-14-16(23)7-11-20(15,2)18(17)8-12-21(19,22)3/h14,17-19,24H,4-13H2,1-3H3/t17-,18+,19+,20+,21+,22+/m1/s1
InChI key: LZSOOHLAZHOTHJ-GUCLMQHLSA-N
SMILES: CCC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3):
  • 17β-ヒドロキシ-17-プロピルアンドロスタ-4-エン-3-オン
  • (1S,3aS,3bR,9aR,9bS,11aS)-1-ヒドロキシ-9a,11a-ジメチル-1-プロピル-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
  • (1S,3aS,3bR,9aR,9bS,11aS)-1-hydroxy-9a,11a-dimethyl-1-propyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (4):
  • トプテロン
  • Topterone
  • Win-17665
  • 17β-Hydroxy-17-propylandrost-4-en-3-one
CAS registry number: 60607-35-4
Regulation number (1):
  • EINECS2623214
KEGG DRUG: D06191
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