Glycochenodeoxycholic acid

CAS Registry Number®

640-79-9
No image available.

CAS Name

Glycochenodeoxycholic acid

Molecular Formula

C26H43NO5

Molecular Mass

449.62

Cite this Page

Glycochenodeoxycholic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=640-79-9 (retrieved 2024-07-16) (CAS RN: 640-79-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1

InChIKey

InChIKey=GHCZAUBVMUEKKP-GYPHWSFCSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](C[C@H]3O)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(NCC(O)=O)=O)C)[H])[H]

Canonical SMILES

O=C(O)CNC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C

Other Names for this Substance

  • Glycine, N-[(3α,5β,7α)-3,7-dihydroxy-24-oxocholan-24-yl]-
  • Glycochenodeoxycholic acid
  • Glycine, N-(3α,7α-dihydroxy-5β-cholan-24-oyl)-
  • 5β-Cholan-24-amide, N-(carboxymethyl)-3α,7α-dihydroxy-
  • Cholane, glycine deriv.

Deleted or Replaced CAS Registry Numbers

36258-33-0