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Substance Name: Hemulcholic acid
RN: 14959-83-2
InChIKey: IPSHXEXQGICLQN-KRRBZGEWSA-N

Note

  • Bile acid from fish bile.

Molecular Weight

  • 408.575
 
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Names and Synonyms

Name of Substance

  • Hemulcholic acid

Synonyms

  • 3alpha,7alpha,22-Trihydroxy-5beta-cholan-24-oic acid
  • Haemulcholic acid

Systematic Name

  • Cholan-24-oic acid, 3,7,22-trihydroxy-, (3alpha,5beta,7alpha,22S)-

Registry Numbers

CAS Registry Number

  • 14959-83-2

System Generated Number

  • 0014959832

Structure Descriptors

InChI

1S/C24H40O5/c1-13(19(26)12-21(28)29)16-4-5-17-22-18(7-9-24(16,17)3)23(2)8-6-15(25)10-14(23)11-20(22)27/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16+,17-,18-,19?,20+,22-,23-,24+/m0/s1

InChIKey

IPSHXEXQGICLQN-KRRBZGEWSA-N

Smiles

C1[C@H](C[C@H]2C[C@H]([C@H]3[C@@H]4CC[C@@H]([C@@H]([C@@H](CC(=O)O)O)C)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)O)O