Hyodeoxycholic acid

CAS Registry Number®

83-49-8

CAS Name

Hyodeoxycholic acid

Molecular Formula

C24H40O4

Molecular Mass

392.57

Cite this Page

Hyodeoxycholic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=83-49-8 (retrieved 2024-11-22) (CAS RN: 83-49-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    198.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

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

InChIKey=DGABKXLVXPYZII-SIBKNCMHSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCC(O)=O)C)(CC4)[H])[H])(C[C@H](O)[C@@]1(C[C@H](O)CC2)[H])[H])[H]

Canonical SMILES

O=C(O)CCC(C)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C

Other Names for this Substance

  • Cholan-24-oic acid, 3,6-dihydroxy-, (3α,5β,6α)-
  • 5β-Cholan-24-oic acid, 3α,6α-dihydroxy-
  • 5β-Cholanic acid, 3α,6α-dihydroxy-
  • (3α,5β,6α)-3,6-Dihydroxycholan-24-oic acid
  • 3α,6α-Dihydroxy-5β-cholanoic acid

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