Petunidin 3,5-diglucoside

CAS Registry Number®

25846-73-5

CAS Name

Petunidin 3,5-diglucoside

Molecular Formula

C28H33O17.Cl

Cite this Page

Petunidin 3,5-diglucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=25846-73-5 (retrieved 2024-12-18) (CAS RN: 25846-73-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H32O17.ClH/c1-40-15-3-9(2-12(32)19(15)33)26-16(43-28-25(39)23(37)21(35)18(8-30)45-28)6-11-13(41-26)4-10(31)5-14(11)42-27-24(38)22(36)20(34)17(7-29)44-27;/h2-6,17-18,20-25,27-30,34-39H,7-8H2,1H3,(H2-,31,32,33);1H/t17-,18-,20-,21-,22+,23+,24-,25-,27-,28-;/m1./s1

InChIKey

InChIKey=YRSDVHGZBOKELJ-DHXGRXBNSA-N

SMILES

O(C=1C(=[O+]C2=C(C1)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C2)C4=CC(OC)=C(O)C(O)=C4)[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=C(O)C(O)=C(OC)C5

Other Names for this Substance

  • 1-Benzopyrylium, 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5-bis(β-D-glucopyranosyloxy)-7-hydroxy-, chloride (1:1)
  • Flavylium, 3,5-bis(β-D-glucopyranosyloxy)-3′,4′,7-trihydroxy-5′-methoxy-, chloride
  • 1-Benzopyrylium, 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5-bis(β-D-glucopyranosyloxy)-7-hydroxy-, chloride
  • Petunin
  • Petunidin 3,5-diglucoside

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Deleted or Replaced CAS Registry Numbers

1329-60-8, 27072-99-7, 31045-98-4

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.