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Substance Name: 7-Methyldeoxycholic acid
RN: 109582-23-2
InChIKey: UTDFMMXQANBWNX-CWUPUNKTSA-N

Molecular Weight

  • 406.603
 
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Names and Synonyms

Name of Substance

  • 7-Methyldeoxycholic acid

Synonyms

  • 3alpha,12alpha-Dihydroxy-7-xi-methyl-5beta-cholanoic acid
  • 7-Me-Dca

Systematic Name

  • Cholan-24-oic acid, 3,12-dihydroxy-7-methyl-, (3alpha,5beta,12alpha)-

Registry Numbers

CAS Registry Number

  • 109582-23-2

System Generated Number

  • 0109582232

Structure Descriptors

InChI

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

InChIKey

UTDFMMXQANBWNX-CWUPUNKTSA-N

Smiles

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