Chem
J-GLOBAL ID：200907045403972227   Nikkaji number：J8.537E

Delmadinone

デルマジノン
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： C21H25ClO3
Molecular formula furigana： C21-H25-CL-O3
Molecular weight： 360.880
InChI： InChI=1S/C21H25ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h4,7,10-11,14-16,25H,5-6,8-9H2,1-3H3/t14-,15+,16+,19-,20+,21+/m1/s1
InChI key： ZSAMZEYLGUEVJW-TTYLFXKOSA-N
SMILES： CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 6-クロロ-17-ヒドロキシプレグナ-1,4,6-トリエン-3,20-ジオン
  • (1R,3aS,3bR,9aR,9bS,11aS)-1-アセチル-5-クロロ-1-ヒドロキシ-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,7H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
  • (1R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-5-chloro-1-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (3)：
  • デルマジノン
  • Delmadinone
  • 6-Chloro-17-hydroxypregna-1,4,6-triene-3,20-dione
CAS registry number： 15262-77-8
Regulation number (1)：
  • EINECS2393066
KEGG DRUG： D07783
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