Peonidin 3,5-diglucoside

CAS Registry Number®

132-37-6
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CAS Name

Peonidin 3,5-diglucoside

Molecular Formula

C28H33O16.Cl

Cite this Page

Peonidin 3,5-diglucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=132-37-6 (retrieved 2024-05-12) (CAS RN: 132-37-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H32O16.ClH/c1-39-16-4-10(2-3-13(16)32)26-17(42-28-25(38)23(36)21(34)19(9-30)44-28)7-12-14(40-26)5-11(31)6-15(12)41-27-24(37)22(35)20(33)18(8-29)43-27;/h2-7,18-25,27-30,33-38H,8-9H2,1H3,(H-,31,32);1H/t18-,19-,20-,21-,22+,23+,24-,25-,27-,28-;/m1./s1

InChIKey

InChIKey=NLSMPWTZYGSAEU-CYUNEVMDSA-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(OC)=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=C(OC2OC(CO)C(O)C(O)C2O)C=3C=C(OC4OC(CO)C(O)C(O)C4O)C(=[O+]C3C1)C=5C=CC(O)=C(OC)C5

Other Names for this Substance

  • 1-Benzopyrylium, 3,5-bis(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-, chloride (1:1)
  • Peonin
  • 1-Benzopyrylium, 3,5-bis(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-, chloride
  • 4′,7-Dihydroxy-3,5-di-β-glucosido-3′-methoxyflavylium chloride
  • Peonin chloride

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Deleted or Replaced CAS Registry Numbers

29323-28-2, 31045-97-3, 524943-92-8

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