Chem
J-GLOBAL ID：200907034965062230   Nikkaji number：J66.974A

Fluorogestone

フルオロゲストン
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： C21H29FO4
Molecular formula furigana： C21-H29-F-O4
Molecular weight： 364.457
InChI： InChI=1S/C21H29FO4/c1-12(23)20(26)9-7-15-16-5-4-13-10-14(24)6-8-18(13,2)21(16,22)17(25)11-19(15,20)3/h10,15-17,25-26H,4-9,11H2,1-3H3/t15-,16-,17-,18-,19-,20-,21-/m0/s1
InChI key： OFSXGKOMEGSTSE-BPSSIEEOSA-N
SMILES： CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C
Systematic name  (4)：
  • 9-フルオロ-11β,17-ジヒドロキシプレグナ-4-エン-3,20-ジオン
  • 11β,17-ジヒドロキシ-9-フルオロプレグナ-4-エン-3,20-ジオン
  • (1R,3aS,3bS,9aS,9bR,10S,11aS)-1-アセチル-9b-フルオロ-1,10-ジヒドロキシ-9a,11a-ジメチル-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
  • (1R,3aS,3bS,9aS,9bR,10S,11aS)-1-acetyl-9b-fluoro-1,10-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (4)：
  • 11β,17-Dihydroxy-9-fluoropregn-4-ene-3,20-dione
  • 9-Fluoro-11β,17-dihydroxypregn-4-ene-3,20-dione
  • フルオロゲストン
  • Fluorogestone
CAS registry number： 337-03-1
Regulation number (2)：
  • TU5017000
  • EINECS2064129
KEGG DRUG： D07968
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