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Substance Name: Hyodeoxycholic acid
RN: 83-49-8
UNII: 7A33Y6EHYK
InChIKey: DGABKXLVXPYZII-SIBKNCMHSA-N

Note

  • Differs from deoxycholic acid in that the 6 alpha-OH is in the 12 position in the former.

Classification Code

  • Mutation Data

Molecular Formula

  • C24-H40-O4

Molecular Weight

  • 392.576
 
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Names and Synonyms

Name of Substance

  • Hyodeoxycholic acid

Synonyms

  • 3-alpha,6-alpha-Dihydroxy-5-beta-cholan-24-oic acid
  • 3alpha,6alpha-Dihydroxy-5beta-cholan-24-saeure
  • 3alpha,6alpha-Dihydroxy-5beta-cholanoic acid
  • 3alpha,6alpha-Dihydroxycholanic acid
  • 4-10-00-01600 (Beilstein Handbook Reference)
  • 5-beta-Cholanic acid-3-alpha,6-alpha-diol
  • 6-alpha-Hydroxylithocholic acid
  • 7-Deoxyhyocholic acid
  • BRN 3218394
  • EINECS 201-483-2
  • Hyodeoxycholic acid
  • Hyodesoxycholic acid
  • Hyodesoxycholsaeure
  • Iodeoxycholic acid
  • NSC 60672
  • UNII-7A33Y6EHYK

Systematic Names

  • 3-alpha,6-alpha-Dihydroxy-5-beta-cholan-24-oic acid
  • 3alpha,6alpha-Dihydroxy-5beta-cholan-24-oic acid
  • 5-beta-Cholan-24-oic acid, 3-alpha,6-alpha-dihydroxy-
  • 5beta-Cholan-24-oic acid, 3alpha,6alpha-dihydroxy- (8CI)
  • Cholan-24-oic acid, 3,6-dihydroxy-, (3alpha,5beta,6alpha)-

Registry Numbers

CAS Registry Number

  • 83-49-8

FDA UNII

  • 7A33Y6EHYK

Related Registry Number

  • 10421-49-5 (hydrochloride salt)

System Generated Number

  • 0000083498

Structure Descriptors

InChI

1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1

InChIKey

DGABKXLVXPYZII-SIBKNCMHSA-N

Smiles

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 198.5 deg C   EXP
log P (octanol-water) 3.08 (none)   EXP
Water Solubility 59.8 mg/L 20 EXP
Vapor Pressure 3.00E-13 mm Hg 25 EST
Henry's Law Constant 1.41E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.28E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.