Chem
J-GLOBAL ID：201007006457650980   Nikkaji number：J2.793.143J

4,4-Difluoropregn-5-ene-3,20-dione

4,4-ジフルオロプレグナ-5-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： C21H28F2O2
Molecular formula furigana： C21-H28-F2-O2
Molecular weight： 350.450
InChI： InChI=1S/C21H28F2O2/c1-12(24)14-5-6-15-13-4-7-17-20(3,11-9-18(25)21(17,22)23)16(13)8-10-19(14,15)2/h7,13-16H,4-6,8-11H2,1-3H3/t13-,14+,15-,16-,19+,20+/m0/s1
InChI key： OTTUKNSDVUSPGW-WOEIGVFJSA-N
SMILES： CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@](C)(CCC(=O)C4(F)F)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 4,4-ジフルオロプレグナ-5-エン-3,20-ジオン
  • (1S,3aS,3bS,9aR,9bS,11aS)-1-アセチル-6,6-ジフルオロ-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,6H,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,9aR,9bS,11aS)-1-acetyl-6,6-difluoro-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (2)：
  • 4,4-Difluoropregna-5-ene-3,20-dione
  • 4,4-Difluoropregn-5-ene-3,20-dione
KEGG COMPOUND： C15152
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