Chem
J-GLOBAL ID：201007044315992107   Nikkaji number：J2.794.468J

11β,17β-Dihydroxy-9-fluoro-17-methyl-5β-androstane-3-one

11β,17β-ジヒドロキシ-9-フルオロ-17-メチル-5β-アンドロスタン-3-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： C20H31FO3
Molecular formula furigana： C20-H31-F-O3
Molecular weight： 338.463
InChI： InChI=1S/C20H31FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h12,14-16,23-24H,4-11H2,1-3H3/t12-,14+,15+,16+,17+,18+,19+,20+/m1/s1
InChI key： OFGHFEJLUUXXNZ-JBPADPLDSA-N
SMILES： C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C
Systematic name  (3)：
  • 11β,17β-ジヒドロキシ-9-フルオロ-17-メチル-5β-アンドロスタン-3-オン
  • (1S,3aS,3bS,5aR,9aS,9bR,10S,11aS)-9b-フルオロ-1,10-ジヒドロキシ-1,9a,11a-トリメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-オン
  • (1S,3aS,3bS,5aR,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-1,9a,11a-trimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one
Other name (2)：
  • 11β,17β-Dihydroxy-9-fluoro-17-methyl-5β-androstane-3-one
  • 11β,17β-Dihydroxy-9α-fluoro-17α-methyl-5β-androstan-3-one
CAS registry number： 53649-13-1
KEGG COMPOUND： C15444
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