Chem
J-GLOBAL ID：200907051957466820   Nikkaji number：J258.761K

4β-Hydroxycholic acid

4β-ヒドロキシコール酸
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： C24H40O6
Molecular formula furigana： C24-H40-O6
Molecular weight： 424.578
InChI： InChI=1S/C24H40O6/c1-12(4-7-20(28)29)13-5-6-14-21-15(11-19(27)24(13,14)3)23(2)9-8-17(25)22(30)16(23)10-18(21)26/h12-19,21-22,25-27,30H,4-11H2,1-3H3,(H,28,29)/t12-,13-,14+,15+,16-,17-,18-,19+,21+,22-,23-,24-/m1/s1
InChI key： WGGZRKVUOFMQHM-HPJHAEAHSA-N
SMILES： C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4[C@@H](O)[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Systematic name  (4)：
  • 4β-ヒドロキシコール酸
  • 3α,4β,7α,12α-テトラヒドロキシ-5β-コラン-24-酸
  • (4R)-4-[(1R,3aS,3bR,4R,5aS,6R,7R,9aR,9bS,11S,11aR)-4,6,7,11-テトラヒドロキシ-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,3bR,4R,5aS,6R,7R,9aR,9bS,11S,11aR)-4,6,7,11-tetrahydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Other name (2)：
  • 3α,4β,7α,12α-Tetrahydroxy-5β-cholan-24-oic acid
  • 4β-Hydroxycholic acid
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