Glycolithocholic acid

CAS Registry Number®

474-74-8

CAS Name

Glycolithocholic acid

Molecular Formula

C26H43NO4

Molecular Mass

433.62

Cite this Page

Glycolithocholic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=474-74-8 (retrieved 2024-11-24) (CAS RN: 474-74-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    212-214 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1

InChIKey

InChIKey=XBSQTYHEGZTYJE-OETIFKLTSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(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)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C

Other Names for this Substance

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

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