Chem
J-GLOBAL ID：200907002276844957   Nikkaji number：J258.760B

3α,4β,7α-Trihydroxy-5β-cholan-24-oic acid

3α,4β,7α-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(4-7-20(27)28)14-5-6-15-21-16(8-10-23(14,15)2)24(3)11-9-18(25)22(29)17(24)12-19(21)26/h13-19,21-22,25-26,29H,4-12H2,1-3H3,(H,27,28)/t13-,14-,15+,16+,17-,18-,19-,21+,22-,23-,24-/m1/s1
InChI key： AIHWGPJJINPTRP-GYNBETSRSA-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]3CC[C@]12C
Systematic name  (3)：
  • 3α,4β,7α-トリヒドロキシ-5β-コラン-24-酸
  • (4R)-4-[(1R,3aS,3bS,4R,5aS,6R,7R,9aR,9bS,11aR)-4,6,7-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,4R,5aS,6R,7R,9aR,9bS,11aR)-4,6,7-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Other name (1)：
  • 3α,4β,7α-Trihydroxy-5β-cholan-24-oic acid
Thsaurus map：
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