Chem
J-GLOBAL ID：200907017893948457   Nikkaji number：J66.981D

6α-Fluoropregn-4-ene-3,20-dione

6α-フルオロプレグナ-4-エン-3,20-ジオン
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： C21H29FO2
Molecular formula furigana： C21-H29-F-O2
Molecular weight： 332.459
InChI： InChI=1S/C21H29FO2/c1-12(23)15-4-5-16-14-11-19(22)18-10-13(24)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17,19H,4-9,11H2,1-3H3/t14-,15+,16-,17-,19-,20+,21+/m0/s1
InChI key： UZROOFLUFHWOJQ-ADDDSGAWSA-N
SMILES： CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 6α-フルオロプレグナ-4-エン-3,20-ジオン
  • (1S,3aS,3bS,5S,9aR,9bS,11aS)-1-アセチル-5-フルオロ-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
  • (1S,3aS,3bS,5S,9aR,9bS,11aS)-1-acetyl-5-fluoro-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 (1)：
  • 6α-Fluoropregn-4-ene-3,20-dione
CAS registry number： 2300-03-0
Regulation number (1)：
  • TU5023400
KEGG COMPOUND： C15127
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