Chem
J-GLOBAL ID:200907016318938044   Nikkaji number:J15.782A

Hyocholic acid

ヒオコール酸
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(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22+,23-,24-/m1/s1
InChI key: DKPMWHFRUGMUKF-KWXDGCAGSA-N
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3):
  • 3α,6α,7α-トリヒドロキシ-5β-コラン-24-酸
  • (4R)-4-[(1R,3aS,3bS,4S,5R,5aR,7R,9aR,9bS,11aR)-4,5,7-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,4S,5R,5aR,7R,9aR,9bS,11aR)-4,5,7-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Other name (3):
  • ヒオコール酸
  • Hyocholic acid
  • 3α,6α,7α-Trihydroxy-5β-cholan-24-oic acid
CAS registry number: 547-75-1
Regulation number (1):
  • EINECS2089358
KEGG COMPOUND: C17649
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