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Substance Name: Allocholic acid
RN: 2464-18-8
InChIKey: BHQCQFFYRZLCQQ-PGHAKIONSA-N

Note

  • See also records for ursocholic and cholic acids.

Molecular Formula

  • C24-H40-O5

Molecular Weight

  • 408.575
 
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Names and Synonyms

Name of Substance

  • Allocholic acid

Synonym

  • Allocholic acid

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 2464-18-8

System Generated Number

  • 0002464188

Structure Descriptors

InChI

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-PGHAKIONSA-N

Smiles

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