Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ursocholic acid
RN: 2955-27-3
UNII: MLP1T05RBX
InChIKey: BHQCQFFYRZLCQQ-UTLSPDKDSA-N

Note

  • See also records for allocholic and cholic acids.

Molecular Formula

  • C24-H40-O5

Molecular Weight

  • 408.575
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Ursocholic acid

Synonyms

  • 3alpha,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic acid
  • 7-Epicholic acid
  • UNII-MLP1T05RBX

Systematic Name

  • Cholan-24-oic acid, 3,7,12-trihydroxy-, (3alpha,5beta,7beta,12alpha)-

Registry Numbers

CAS Registry Number

  • 2955-27-3

FDA UNII

  • MLP1T05RBX

System Generated Number

  • 0002955273

Structure Descriptors

InChI

1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19+,20+,22+,23+,24-/m1/s1

InChIKey

BHQCQFFYRZLCQQ-UTLSPDKDSA-N

Smiles

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C