Ligstroside

CAS Registry Number®

35897-92-8

CAS Name

Ligstroside

Molecular Formula

C25H32O12

Molecular Mass

524.51

Cite this Page

Ligstroside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=35897-92-8 (retrieved 2024-11-22) (CAS RN: 35897-92-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H32O12/c1-3-15-16(10-19(28)34-9-8-13-4-6-14(27)7-5-13)17(23(32)33-2)12-35-24(15)37-25-22(31)21(30)20(29)18(11-26)36-25/h3-7,12,16,18,20-22,24-27,29-31H,8-11H2,1-2H3/b15-3+/t16-,18+,20+,21-,22+,24-,25-/m0/s1

InChIKey

InChIKey=GMQXOLRKJQWPNB-MVVLSVRYSA-N

SMILES

C(C(OCCC1=CC=C(O)C=C1)=O)[C@H]2/C(=C\C)/[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(OC)=O

Canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(=CC)C1CC(=O)OCCC3=CC=C(O)C=C3

Other Names for this Substance

  • 2H-Pyran-4-acetic acid, 3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-, 2-(4-hydroxyphenyl)ethyl ester, (2S,3E,4S)-
  • 2H-Pyran-4-acetic acid, 3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-, 2-(4-hydroxyphenyl)ethyl ester, [2S-(2α,3E,4β)]-
  • Ligstroside
  • Ligustroside

CAS INSIGHTSTM
Targeted protein degrader structure, illustration