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Substance Name: Homoursodeoxycholic acid
RN: 102044-28-0
InChIKey: ZKKGBMOMGYRROF-ZQMFMVRBSA-N

Molecular Formula

  • C25-H42-O4

Molecular Weight

  • 406.6028
 
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Names and Synonyms

Name of Substance

  • Homoursodeoxycholic acid

Synonym

  • HUDCA

Systematic Name

  • Cholane-24-carboxylic acid, 3,7-dihydroxy-, (3alpha,5beta,7beta)-

Registry Numbers

CAS Registry Number

  • 102044-28-0

System Generated Number

  • 0102044280

Structure Descriptors

InChI

1S/C25H42O4/c1-15(5-4-6-22(28)29)18-7-8-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,4-14H2,1-3H3,(H,28,29)/t15-,16+,17-,18-,19+,20+,21+,23+,24+,25-/m1/s1

InChIKey

ZKKGBMOMGYRROF-ZQMFMVRBSA-N

Smiles

C[C@H](CCCC(=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]3CC[C@]12C