Chem
J-GLOBAL ID：200907029021734517   Nikkaji number：J688.938G

3α,7α,12α,19-Tetrahydroxy-5β-cholan-24-oic acid

3α,7α,12α,19-テトラヒドロキシ-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： C24H40O6
Molecular formula furigana： C24-H40-O6
Molecular weight： 424.578
InChI： InChI=1S/C24H40O6/c1-13(3-6-21(29)30)16-4-5-17-22-18(11-20(28)23(16,17)2)24(12-25)8-7-15(26)9-14(24)10-19(22)27/h13-20,22,25-28H,3-12H2,1-2H3,(H,29,30)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23-,24-/m1/s1
InChI key： RFSKRKUKTCLIAV-OWXKUJNZSA-N
SMILES： C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(CO)[C@H]3C[C@H](O)[C@]12C
Systematic name  (3)：
  • 3α,7α,12α,19-テトラヒドロキシ-5β-コラン-24-酸
  • (4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aR,9bS,11S,11aR)-4,7,11-トリヒドロキシ-9a-(ヒドロキシメチル)-11a-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,7R,9aR,9bS,11S,11aR)-4,7,11-trihydroxy-9a-(hydroxymethyl)-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Other name (1)：
  • 3α,7α,12α,19-Tetrahydroxy-5β-cholan-24-oic acid
Thsaurus map：
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