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Substance Name: 3,7,12-Trihydroxy-7-methylcholanoic acid
RN: 102362-49-2
InChIKey: YSLVYCWXAPPBIQ-HQQQGJIFSA-N

Molecular Weight

  • 422.6018
 
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Names and Synonyms

Name of Substance

  • 3,7,12-Trihydroxy-7-methylcholanoic acid

Synonyms

  • 7-Methylcholic acid
  • 7-Methylursocholic acid
  • 7alpha-Methylursocholic acid
  • 7beta-Methylcholic acid

Registry Numbers

CAS Registry Number

  • 102362-49-2

System Generated Number

  • 0102362492

Structure Descriptors

InChI

1S/C25H42O5/c1-14(5-8-21(28)29)17-6-7-18-22-19(12-20(27)25(17,18)4)23(2)10-9-16(26)11-15(23)13-24(22,3)30/h14-20,22,26-27,30H,5-13H2,1-4H3,(H,28,29)/t14-,15+,16-,17-,18+,19?,20+,22+,23+,24-,25-/m1/s1

InChIKey

YSLVYCWXAPPBIQ-HQQQGJIFSA-N

Smiles

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