Chem
J-GLOBAL ID:200907050337809925   Nikkaji number:J253.747H

9α-Fluoro-11β-hydroxy-16β-methyl-17α-acetyloxy-21-(2-propynyl)thio-1,4-pregnadiene-3,20-dione

9α-フルオロ-11β-ヒドロキシ-16β-メチル-17α-アセチルオキシ-21-(2-プロピニル)チオ-1,4-プレグナジエン-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: C27H33FO5S
Molecular formula furigana: C27-H33-F-O5-S
Molecular weight: 488.610
InChI: InChI=1S/C27H33FO5S/c1-6-11-34-15-23(32)27(33-17(3)29)16(2)12-21-20-8-7-18-13-19(30)9-10-24(18,4)26(20,28)22(31)14-25(21,27)5/h1,9-10,13,16,20-22,31H,7-8,11-12,14-15H2,2-5H3/t16-,20-,21-,22-,24-,25-,26-,27-/m0/s1
InChI key: WGHHEOJFPRRJKB-VADKKIFPSA-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(OC(=O)C)C(=O)CSCC#C
Systematic name  (3):
  • 9α-フルオロ-11β-ヒドロキシ-16β-メチル-17α-アセチルオキシ-21-(2-プロピニル)チオ-1,4-プレグナジエン-3,20-ジオン
  • (1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-9b-フルオロ-10-ヒドロキシ-2,9a,11a-トリメチル-7-オキソ-1-[2-(プロパ-2-イン-1-イルスルファニル)アセチル]-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 アセタート
  • (1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-10-hydroxy-2,9a,11a-trimethyl-7-oxo-1-[2-(prop-2-yn-1-ylsulfanyl)acetyl]-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
Other name (1):
  • 9α-Fluoro-11β-hydroxy-16β-methyl-17α-acetyloxy-21-(2-propynyl)thio-1,4-pregnadiene-3,20-dione
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