Chem
J-GLOBAL ID：201007074162032962   Nikkaji number：J2.793.777B

NSC-47440

17,21-エポキシ-9-フルオロ-11β-ヒドロキシプロゲステロン
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： C21H27FO4
Molecular formula furigana： C21-H27-F-O4
Molecular weight： 362.441
InChI： InChI=1S/C21H27FO4/c1-18-7-5-13(23)9-12(18)3-4-15-14-6-8-20(17(25)11-26-20)19(14,2)10-16(24)21(15,18)22/h9,14-16,24H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1
InChI key： NVDNCLODVOXYKU-BULBTXNYSA-N
SMILES： C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]12OCC1=O
Systematic name  (4)：
  • 17,21-エポキシ-9-フルオロ-11β-ヒドロキシプレグナ-4-エン-3,20-ジオン
  • 17,21-エポキシ-9-フルオロ-11β-ヒドロキシプロゲステロン
  • (1R,3aS,3bS,9aS,9bR,10S,11aS)-9b-フルオロ-10-ヒドロキシ-9a,11a-ジメチル-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-テトラデカヒドロスピロ[シクロペンタ[a]フェナントレン-1,2'-オキセタン]-3',7-ジオン
  • (1R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-10-hydroxy-9a,11a-dimethyl-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxetane]-3',7-dione
Other name (4)：
  • 17,21-Epoxy-9-fluoro-11β-hydroxypregna-4-ene-3,20-dione
  • 17,21-Epoxy-9-fluoro-11β-hydroxyprogesterone
  • 17,21-Epoxy-9-fluoro-11β-hydroxypregn-4-ene-3,20-dione
  • NSC-47440
CAS registry number： 336-77-6
KEGG COMPOUND： C15309
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