Chem
J-GLOBAL ID：200907002856115480   Nikkaji number：J6.779B

Descinolone

デスシノロン
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： C21H27FO5
Molecular formula furigana： C21-H27-F-O5
Molecular weight： 378.440
InChI： InChI=1S/C21H27FO5/c1-11(23)21(27)16(25)9-15-14-5-4-12-8-13(24)6-7-18(12,2)20(14,22)17(26)10-19(15,21)3/h6-8,14-17,25-27H,4-5,9-10H2,1-3H3/t14-,15-,16+,17-,18-,19-,20-,21+/m0/s1
InChI key： DYCBAFABWCTLEN-PMVIMZBYSA-N
SMILES： CC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C
Systematic name  (3)：
  • 9-フルオロ-11β,16α,17-トリヒドロキシプレグナ-1,4-ジエン-3,20-ジオン
  • (1S,2R,3aS,3bS,9aS,9bR,10S,11aS)-1-アセチル-9b-フルオロ-1,2,10-トリヒドロキシ-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
  • (1S,2R,3aS,3bS,9aS,9bR,10S,11aS)-1-acetyl-9b-fluoro-1,2,10-trihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (3)：
  • デスシノロン
  • Descinolone
  • 9-Fluoro-11β,16α,17-trihydroxypregna-1,4-diene-3,20-dione
CAS registry number： 595-52-8
KEGG COMPOUND： C15361
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