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Substance Name: 1beta-Hydroxydeoxycholic acid
RN: 80434-32-8
UNII: HTY43X1B1P
InChIKey: DAKYVYUAVGJDRK-FPUZENINSA-N

Molecular Formula

  • C24-H40-O5

Molecular Weight

  • 408.575
 
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Names and Synonyms

Name of Substance

  • 1beta-Hydroxydeoxycholic acid

Synonyms

  • 1 beta, 3alpha, 12alpha-Trihydroxy-5beta-cholanoic acid
  • 1beta,3alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid
  • 1beta,3alpha,12alpha-Trihydroxy-5beta-cholanoic acid
  • 1beta-Hydroxydeoxycholic acid
  • Cholan-24-oic acid, 1,3,12-trihydroxy-, (1beta,3alpha,5beta,12alpha)-
  • UNII-HTY43X1B1P

Registry Numbers

CAS Registry Number

  • 80434-32-8

FDA UNII

  • HTY43X1B1P

System Generated Number

  • 0080434328

Structure Descriptors

InChI

InChI=1S/C24H40O5/c1-13(4-9-22(28)29)17-7-8-18-16-6-5-14-10-15(25)11-20(26)23(14,2)19(16)12-21(27)24(17,18)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

DAKYVYUAVGJDRK-FPUZENINSA-N

Smiles

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