Chem
J-GLOBAL ID：200907056655421896   Nikkaji number：J472.757F

Murocholic acid

ムロコール酸
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： C24H40O4
Molecular formula furigana： C24-H40-O4
Molecular weight： 392.580
InChI： InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21-,23-,24-/m1/s1
InChI key： DGABKXLVXPYZII-PLYQRAMGSA-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]3CC[C@]12C
Systematic name  (3)：
  • 3α,6β-ジヒドロキシ-5β-コラン-24-酸
  • (4R)-4-[(1R,3aS,3bS,5R,5aR,7R,9aR,9bS,11aR)-5,7-ジヒドロキシ-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,5R,5aR,7R,9aR,9bS,11aR)-5,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Other name (5)：
  • 3α,6β-Dihydroxy-5β-cholan-24-oic acid
  • ムリデオキシコール酸
  • Murideoxycholic acid
  • Murocholic acid
  • ムロコール酸
CAS registry number： 668-49-5
KEGG COMPOUND： C15515
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