Chem
J-GLOBAL ID：200907031272290744   Nikkaji number：J16.173J

Flumedroxone

フルメドロキソン
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： C22H29F3O3
Molecular formula furigana： C22-H29-F3-O3
Molecular weight： 398.466
InChI： InChI=1S/C22H29F3O3/c1-12(26)21(28)9-6-16-14-11-18(22(23,24)25)17-10-13(27)4-7-19(17,2)15(14)5-8-20(16,21)3/h10,14-16,18,28H,4-9,11H2,1-3H3/t14-,15+,16+,18+,19-,20+,21+/m1/s1
InChI key： CDZJOBWKHSYNMO-SCUQKFFVSA-N
SMILES： CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F
Systematic name  (3)：
  • 17-ヒドロキシ-6α-トリフルオロメチルプレグナ-4-エン-3,20-ジオン
  • (1R,3aS,3bR,5S,9aR,9bS,11aS)-1-アセチル-1-ヒドロキシ-9a,11a-ジメチル-5-(トリフルオロメチル)-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,3bR,5S,9aR,9bS,11aS)-1-acetyl-1-hydroxy-9a,11a-dimethyl-5-(trifluoromethyl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (3)：
  • フルメドロキソン
  • Flumedroxone
  • 17-Hydroxy-6α-trifluoromethylpregn-4-ene-3,20-dione
CAS registry number： 15687-21-5
KEGG DRUG： D07296
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