Isodeoxycholic acid
CAS Registry Number®
566-17-6
CAS Name
Isodeoxycholic acidMolecular Formula
C24H40O4Molecular Mass
392.57Cite this Page
Isodeoxycholic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=566-17-6 (retrieved ) (CAS RN: 566-17-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
210 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C24H40O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
InChIKey
InChIKey=ZHCAAZIHTDCFJX-QLEQUTGBSA-N
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@](C)([C@@H](O)C3)[C@@]([C@@H](CCC(O)=O)C)(CC4)[H])[H])([C@H](O)C[C@@]1(CCCC2)[H])[H])[H]
Canonical SMILES
O=C(O)CCC(C)C1CCC2C3C(O)CC4CCCCC4(C)C3CC(O)C12C
Other Names for this Substance
- Cholan-24-oic acid, 7,12-dihydroxy-, (5β,7α,12α)-
- 5β-Cholan-24-oic acid, 7α,12α-dihydroxy-
- 5β-Cholanic acid, 7α,12α-dihydroxy-
- (5β,7α,12α)-7,12-Dihydroxycholan-24-oic acid
- 7α,12α-Dihydroxycholanoic acid
Deleted or Replaced CAS Registry Numbers
891483-23-1
