Ethyl cholate
CAS Registry Number®
47676-48-2
CAS Name
Ethyl cholateMolecular Formula
C26H44O5Molecular Mass
436.62Cite this Page
Ethyl cholate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=47676-48-2 (retrieved ) (CAS RN: 47676-48-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
218-220 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C26H44O5/c1-5-31-23(30)9-6-15(2)18-7-8-19-24-20(14-22(29)26(18,19)4)25(3)11-10-17(27)12-16(25)13-21(24)28/h15-22,24,27-29H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
InChIKey
InChIKey=FPDXMWHJGOCDQJ-HZAMXZRMSA-N
SMILES
O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCC(OCC)=O)C)(CC3)[H])[C@@H](O)C[C@@]2([C@]4(C)[C@](C1)(C[C@H](O)CC4)[H])[H])[H])[H]
Canonical SMILES
O=C(OCC)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
Other Names for this Substance
- Cholan-24-oic acid, 3,7,12-trihydroxy-, ethyl ester, (3α,5β,7α,12α)-
- Cholic acid, ethyl ester
- Ethyl cholate
Deleted or Replaced CAS Registry Numbers
885008-45-7, 909263-67-8