Ethyl cholate

CAS Registry Number®

47676-48-2
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CAS Name

Ethyl cholate

Molecular Formula

C26H44O5

Molecular Mass

436.62

Cite 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 2024-05-19) (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

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