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Substance Name: 23-Methylursodeoxycholic acid
RN: 113301-20-5
InChIKey: XMIXAXLPZCFFCG-BGXBKFFBSA-N

Note

  • Has no effect on cholesterol metabolizing enzymes in rat liver microsomes.

Molecular Weight

  • 406.603
 
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Names and Synonyms

Name of Substance

  • 23-Methylursodeoxycholic acid

Synonym

  • 23-Methyl-udca

Systematic Name

  • Cholane-23-carboxylic acid, 3,7-dihydroxy-, (3alpha,5beta,7beta)-

Registry Numbers

CAS Registry Number

  • 113301-20-5

System Generated Number

  • 0113301205

Structure Descriptors

InChI

1S/C25H42O4/c1-14(11-15(2)23(28)29)18-5-6-19-22-20(8-10-25(18,19)4)24(3)9-7-17(26)12-16(24)13-21(22)27/h14-22,26-27H,5-13H2,1-4H3,(H,28,29)/t14-,15?,16+,17-,18-,19+,20+,21+,22+,24+,25-/m1/s1

InChIKey

XMIXAXLPZCFFCG-BGXBKFFBSA-N

Smiles

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