Chem
J-GLOBAL ID：200907002508141982   Nikkaji number：J457.326I

1β-Hydroxydeoxycholic acid

1β-ヒドロキシデオキシコール酸
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： C24H40O5
Molecular formula furigana： C24-H40-O5
Molecular weight： 408.579
InChI： InChI=1S/C24H40O5/c1-13(4-9-22(28)29)17-7-8-18-16-6-5-14-10-15(25)11-20(26)23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16+,17-,18+,19+,20-,21+,23+,24-/m1/s1
InChI key： DAKYVYUAVGJDRK-FPUZENINSA-N
SMILES： C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)C[C@@H](O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Systematic name  (3)：
  • 1β,3α,12α-トリヒドロキシ-5β-コラン-24-酸
  • (4R)-4-[(1R,3aS,3bS,5aR,7S,9R,9aS,9bS,11S,11aR)-7,9,11-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]ペンタン酸
  • (4R)-4-[(1R,3aS,3bS,5aR,7S,9R,9aS,9bS,11S,11aR)-7,9,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Other name (3)：
  • 1β-ヒドロキシデオキシコール酸
  • 1β-Hydroxydeoxycholic acid
  • 1β,3α,12α-Trihydroxy-5β-cholan-24-oic acid
Thsaurus map：
Thesaurus Map

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