Pelargonidin 3,5-diglucoside

CAS Registry Number®

17334-58-6
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CAS Name

Pelargonidin 3,5-diglucoside

Molecular Formula

C27H31O15.Cl

Cite this Page

Pelargonidin 3,5-diglucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=17334-58-6 (retrieved 2024-04-26) (CAS RN: 17334-58-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H30O15.ClH/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27;/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31);1H/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-;/m1./s1

InChIKey

InChIKey=DIRROHKULXIUCB-DHJOXOLYSA-N

SMILES

O(C=1C2=C([O+]=C(C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2)C4=CC=C(O)C=C4)C=C(O)C1)[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O.[Cl-]

Canonical SMILES

[Cl-].OC=1C=CC(=CC1)C2=[O+]C=3C=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C3C=C2OC5OC(CO)C(O)C(O)C5O

Other Names for this Substance

  • 1-Benzopyrylium, 3,5-bis(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-, chloride (1:1)
  • Pelargonin (glycoside)
  • 1-Benzopyrylium, 3,5-bis(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-, chloride
  • Pelargonin
  • Pelargonidin 3,5-di-β-D-glucoside

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Deleted or Replaced CAS Registry Numbers

36-44-2, 1329-48-2, 29733-09-3, 30373-85-4

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