Chem
J-GLOBAL ID：200907027935708228   Nikkaji number：J906.647K

3α,6α,12α-Trihydroxy-5β-cholan-24-oic acid

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

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