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Substance Name: 3,6,12-Trihydroxycholanoic acid
RN: 21066-18-2
InChIKey: GCAHOAMXTYBLNZ-XUPDPMAXSA-N

Note

  • Bile acid.

Molecular Weight

  • 408.575
 
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Names and Synonyms

Name of Substance

  • 3,6,12-Trihydroxycholanoic acid

Synonyms

  • 3,6,12-TCNA
  • 3alpha,6alpha,12alpha-Trihydroxy-5beta-cholanoic acid

Systematic Name

  • Cholan-24-oic acid, 3,6,12-trihydroxy-, (3alpha,5beta,6alpha,12alpha)-

Registry Numbers

CAS Registry Number

  • 21066-18-2

System Generated Number

  • 0021066182

Structure Descriptors

InChI

1S/C24H40O5/c1-13(4-7-22(28)29)16-5-6-17-15-11-20(26)19-10-14(25)8-9-23(19,2)18(15)12-21(27)24(16,17)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16-,17+,18+,19+,20+,21+,23-,24-/m1/s1

InChIKey

GCAHOAMXTYBLNZ-XUPDPMAXSA-N

Smiles

C1[C@H](C[C@H]2[C@H](C[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)O)O