Chem
J-GLOBAL ID:200907091026829220   Nikkaji number:J707.429H

3-Oxo-6α,9-difluoro-11-hydroxy-16-methyl-17-(propionyloxy)androsta-1,4-diene-17β-carbothioic acid S-(fluoromethyl) ester

3-オキソ-6α,9-ジフルオロ-11-ヒドロキシ-16-メチル-17-(プロピオニルオキシ)アンドロスタ-1,4-ジエン-17β-カルボチオ酸S-(フルオロメチル)
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: C25H31F3O5S
Molecular formula furigana: C25-H31-F3-O5-S
Molecular weight: 500.570
InChI: InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13?,15-,16-,18-,19?,22-,23-,24-,25-/m0/s1
InChI key: WMWTYOKRWGGJOA-LSZHGKBLSA-N
SMILES: CCC(=O)O[C@@]1(C(C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(O)C[C@]12C)C(=O)SCF
Systematic name  (3):
  • 3-オキソ-6α,9-ジフルオロ-11-ヒドロキシ-16-メチル-17-(プロピオニルオキシ)アンドロスタ-1,4-ジエン-17β-カルボチオ酸S-(フルオロメチル)
  • (1R,3aS,3bS,5S,9aS,9bR,11aS)-5,9b-ジフルオロ-1-{[(フルオロメチル)スルファニル]カルボニル}-10-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 プロパノアート
  • (1R,3aS,3bS,5S,9aS,9bR,11aS)-5,9b-difluoro-1-{[(fluoromethyl)sulfanyl]carbonyl}-10-hydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl propanoate
Other name (1):
  • 3-Oxo-6α,9-difluoro-11-hydroxy-16-methyl-17-(propionyloxy)androsta-1,4-diene-17β-carbothioic acid S-(fluoromethyl) ester
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