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Substance Name: 3,7-Dihydroxy-7-methylcholanoic acid
RN: 91414-09-4
InChIKey: AWOYSFVQDVPMBW-RSXMVHONSA-N

Molecular Formula

  • C25-H42-O4

Molecular Weight

  • 406.603
 
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Names and Synonyms

Name of Substance

  • 3,7-Dihydroxy-7-methylcholanoic acid

Synonyms

  • 3,7-DMC
  • 3alpha,7alpha-Dihydroxy-7beta-methyl-5beta-cholanoic acid
  • 3alpha,7beta-Dihydroxy-7alpha-methyl-5beta-cholanoic acid
  • 7-Mecdc
  • 7-Methylchenodeoxycholic acid
  • 7-Methylursodeoxycholic acid
  • 7-Meudc

Systematic Name

  • Cholan-24-oic acid, 3,7-dihydroxy-7-methyl-, (3alpha,5beta,7beta)-

Registry Numbers

CAS Registry Number

  • 91414-09-4

System Generated Number

  • 0091414094

Structure Descriptors

InChI

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

InChIKey

AWOYSFVQDVPMBW-RSXMVHONSA-N

Smiles

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