Chem
J-GLOBAL ID：200907063177072020   Nikkaji number：J192.109F

9-Fluoro-11β,17-dihydroxy-16α-methyl-21-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione

9-フルオロ-11β,17-ジヒドロキシ-16α-メチル-21-[(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： C27H37FO6
Molecular formula furigana： C27-H37-F-O6
Molecular weight： 476.585
InChI： InChI=1S/C27H37FO6/c1-5-6-7-23(32)34-15-22(31)27(33)16(2)12-20-19-9-8-17-13-18(29)10-11-24(17,3)26(19,28)21(30)14-25(20,27)4/h10-11,13,16,19-21,30,33H,5-9,12,14-15H2,1-4H3/t16-,19+,20+,21+,24+,25+,26+,27+/m1/s1
InChI key： FEROCCAEIIKMJT-OMPPIWKSSA-N
SMILES： CCCCC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C
Systematic name  (3)：
  • 9-フルオロ-11β,17-ジヒドロキシ-16α-メチル-21-[(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
  • 2-[(1R,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-フルオロ-1,10-ジヒドロキシ-2,9a,11a-トリメチル-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]-2-オキソエチル ペンタノアート
  • 2-[(1R,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl pentanoate
Other name (1)：
  • 9-Fluoro-11β,17-dihydroxy-16α-methyl-21-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione
CAS registry number： 2600-31-9
Regulation number (1)：
  • EINECS2200032
KEGG DRUG： D07800
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