Pelargonidin 3-(6′′-malonylglucoside)

CAS Registry Number®

165070-68-8

CAS Name

Pelargonidin 3-(6′′-malonylglucoside)

Molecular Formula

C24H23O13

Cite this Page

Pelargonidin 3-(6′′-malonylglucoside).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=165070-68-8 (retrieved 2024-11-22) (CAS RN: 165070-68-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)23-16(7-13-14(27)5-12(26)6-15(13)35-23)36-24-22(33)21(32)20(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,20-22,24,31-33H,8-9H2,(H3-,25,26,27,28,29)/p+1/t17-,20-,21+,22-,24-/m1/s1

InChIKey

InChIKey=XLZUBCUKXQFBKB-JZWLZXDTSA-O

SMILES

O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC=C(O)C=C3)[C@@H]4O[C@H](COC(CC(O)=O)=O)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C(O)CC(=O)OCC1OC(OC2=CC=3C(O)=CC(O)=CC3[O+]=C2C=4C=CC(O)=CC4)C(O)C(O)C1O

Other Names for this Substance

  • 1-Benzopyrylium, 3-[[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
  • 3-[[6-O-(Carboxyacetyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium
  • Pelargonidin 3-(6′′-malonylglucoside)
  • Pelargonidin-3-O-(6′-(malonyl)-glucoside)