Chem
J-GLOBAL ID：200907091111614550   Nikkaji number：J8.981H

R2453

ジメゲストン
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： C21H28O2
Molecular formula furigana： C21-H28-O2
Molecular weight： 312.453
InChI： InChI=1S/C21H28O2/c1-13(22)20(2)11-9-19-18-6-4-14-12-15(23)5-7-16(14)17(18)8-10-21(19,20)3/h12,18-19H,4-11H2,1-3H3/t18-,19+,20-,21+/m1/s1
InChI key： JWAHBTQSSMYISL-MHTWAQMVSA-N
SMILES： CC(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@]12C
Systematic name  (3)：
  • 17-メチル-19-ノルプレグナ-4,9-ジエン-3,20-ジオン
  • (1S,3aS,3bS,11aS)-1-アセチル-1,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
  • (1S,3aS,3bS,11aS)-1-acetyl-1,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (9)：
  • デメゲストン
  • R2453
  • Demegestone
  • 17-Methyl-19-norpregna-4,9-diene-3,20-dione
  • ジメゲストン
Show all
CAS registry number： 10116-22-0
Regulation number (1)：
  • EINECS2333206
KEGG DRUG： D07223
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