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Substance Name: Muricholic acid
RN: 39016-49-4
InChIKey: DKPMWHFRUGMUKF-JDDNAIEOSA-N

Note

  • Internal standard in analysis of fecal bile acids.

Molecular Formula

  • C24-H40-O5

Molecular Weight

  • 408.575
 
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Names and Synonyms

Name of Substance

  • Muricholic acid

Synonyms

  • 3,6,7-Trihydroxy-5-cholanoic acid
  • 3alpha,6alpha,7beta-Trihydroxy-5beta-cholanoic acid
  • alpha-Muricholic acid
  • Hyocholic acid
  • Trihydroxy-5alpha-cholanoic acid

Systematic Name

  • Cholan-24-oic acid, 3,6,7-trihydroxy-, (3alpha,5beta)-

Registry Numbers

CAS Registry Number

  • 39016-49-4

System Generated Number

  • 0039016494

Structure Descriptors

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

InChIKey

DKPMWHFRUGMUKF-JDDNAIEOSA-N

Smiles

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(O)C(O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C