Chem
J-GLOBAL ID：200907037961026149   Nikkaji number：J199.699A

9-Fluoro-11β,17-dihydroxy-16α-methyl-21-(1-oxo-3-phenylpropoxy)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-3-フェニルプロポキシ)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： C31H37FO6
Molecular formula furigana： C31-H37-F-O6
Molecular weight： 524.629
InChI： InChI=1S/C31H37FO6/c1-19-15-24-23-11-10-21-16-22(33)13-14-28(21,2)30(23,32)25(34)17-29(24,3)31(19,37)26(35)18-38-27(36)12-9-20-7-5-4-6-8-20/h4-8,13-14,16,19,23-25,34,37H,9-12,15,17-18H2,1-3H3/t19-,23+,24+,25+,28+,29+,30+,31+/m1/s1
InChI key： CTKMBLPPDDQOSU-JPYVRCQISA-N
SMILES： C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCc1ccccc1
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-3-フェニルプロポキシ)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 3-フェニルプロパノアート
  • 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 3-phenylpropanoate
Other name (1)：
  • 9-Fluoro-11β,17-dihydroxy-16α-methyl-21-(1-oxo-3-phenylpropoxy)pregna-1,4-diene-3,20-dione
CAS registry number： 1879-72-7
Regulation number (1)：
  • EINECS2175347
KEGG DRUG： D07801
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