Chem
J-GLOBAL ID：201507018789336053   Nikkaji number：J3.437.787A

(23S)-23-Fluoro-3α,7α,12α-trihydroxy-5β-cholane-24-oic acid

(23S)-23-フルオロ-3α,7α,12α-トリヒドロキシ-5β-コラン-24-酸
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： C24H39FO5
Molecular formula furigana： C24-H39-F-O5
Molecular weight： 426.569
InChI： InChI=1S/C24H39FO5/c1-12(8-18(25)22(29)30)15-4-5-16-21-17(11-20(28)24(15,16)3)23(2)7-6-14(26)9-13(23)10-19(21)27/h12-21,26-28H,4-11H2,1-3H3,(H,29,30)/t12-,13+,14-,15-,16+,17+,18+,19-,20+,21+,23+,24-/m1/s1
InChI key： QEHUVDYKCYBWLR-MHNNMFPASA-N
SMILES： C[C@H](C[C@H](F)C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Systematic name  (3)：
  • (23S)-23-フルオロ-3α,7α,12α-トリヒドロキシ-5β-コラン-24-酸
  • (2S,4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-トリヒドロキシ-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]-2-フルオロペンタン酸
  • (2S,4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-fluoropentanoic acid
Other name (1)：
  • (23S)-23-Fluoro-3α,7α,12α-trihydroxy-5β-cholane-24-oic acid
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