Pelargonidin 3-glucoside

CAS Registry Number®

18466-51-8

CAS Name

Pelargonidin 3-glucoside

Molecular Formula

C21H21O10.Cl

Cite this Page

Pelargonidin 3-glucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18466-51-8 (retrieved 2024-11-22) (CAS RN: 18466-51-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H20O10.ClH/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9;/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25);1H/t16-,17-,18+,19-,21-;/m1./s1

InChIKey

InChIKey=CAHGSEFWVUVGGL-UBNZBFALSA-N

SMILES

O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC=C(O)C=C3)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O.[Cl-]

Canonical SMILES

[Cl-].OC=1C=CC(=CC1)C2=[O+]C=3C=C(O)C=C(O)C3C=C2OC4OC(CO)C(O)C(O)C4O

Other Names for this Substance

  • 1-Benzopyrylium, 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-, chloride (1:1)
  • Callistephin
  • 1-Benzopyrylium, 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-, chloride
  • Pelargonidin 3-β-D-glucopyranoside
  • Pelargonidin 3-monoglucoside

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Deleted or Replaced CAS Registry Numbers

100432-94-8, 29008-78-4, 29355-09-7, 30965-55-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration