Chem
J-GLOBAL ID：200907047663692247   Nikkaji number：J318.438B

6α-Fluoro-11β,21-dihydroxy-17-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione

6α-フルオロ-11β,21-ジヒドロキシ-17-[(1-オキソペンチル)オキシ]プレグナ-1,4-ジエン-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： C26H35FO6
Molecular formula furigana： C26-H35-F-O6
Molecular weight： 462.558
InChI： InChI=1S/C26H35FO6/c1-4-5-6-22(32)33-26(21(31)14-28)10-8-17-16-12-19(27)18-11-15(29)7-9-24(18,2)23(16)20(30)13-25(17,26)3/h7,9,11,16-17,19-20,23,28,30H,4-6,8,10,12-14H2,1-3H3/t16-,17-,19-,20-,23+,24-,25-,26-/m0/s1
InChI key： JXWVQHSDWAODPY-HHJIKABBSA-N
SMILES： CCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO
Systematic name  (3)：
  • 6α-フルオロ-11β,21-ジヒドロキシ-17-[(1-オキソペンチル)オキシ]プレグナ-1,4-ジエン-3,20-ジオン
  • (1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-5-フルオロ-10-ヒドロキシ-1-(2-ヒドロキシアセチル)-9a,11a-ジメチル-7-オキソ-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-1-イル ペンタノアート
  • (1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-5-fluoro-10-hydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl pentanoate
Other name (1)：
  • 6α-Fluoro-11β,21-dihydroxy-17-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione
CAS registry number： 23257-44-5
Regulation number (1)：
  • EINECS2455352
KEGG DRUG： D04228
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