Glycine, N-[(3α,5β,7α,12α)-3,7-dihydroxy-24-oxo-12-(sulfooxy)cholan-24-yl]-

CAS Registry Number®

74723-17-4

CAS Name

Glycine, N-[(3α,5β,7α,12α)-3,7-dihydroxy-24-oxo-12-(sulfooxy)cholan-24-yl]-

Molecular Formula

C26H43NO9S

Molecular Mass

545.69

Cite this Page

Glycine, N-[(3α,5β,7α,12α)-3,7-dihydroxy-24-oxo-12-(sulfooxy)cholan-24-yl]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=74723-17-4 (retrieved 2024-11-22) (CAS RN: 74723-17-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H43NO9S/c1-14(4-7-22(30)27-13-23(31)32)17-5-6-18-24-19(12-21(26(17,18)3)36-37(33,34)35)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-29H,4-13H2,1-3H3,(H,27,30)(H,31,32)(H,33,34,35)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1

InChIKey

InChIKey=JZLKXIMBAHDSBJ-FRVQLJSFSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](C[C@@H]1OS(=O)(=O)O)([C@]4(C)[C@](C[C@H]3O)(C[C@H](O)CC4)[H])[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)C3CC(OS(=O)(=O)O)C12C

Other Names for this Substance

  • Glycine, N-[(3α,5β,7α,12α)-3,7-dihydroxy-24-oxo-12-(sulfooxy)cholan-24-yl]-
  • Cholane, glycine deriv.

CAS INSIGHTSTM
Targeted protein degrader structure, illustration