Petunidin 3-glucoside

CAS Registry Number®

6988-81-4
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CAS Name

Petunidin 3-glucoside

Molecular Formula

C22H23O12.Cl

Cite this Page

Petunidin 3-glucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6988-81-4 (retrieved 2024-04-26) (CAS RN: 6988-81-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H22O12.ClH/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22;/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27);1H/t16-,18-,19+,20-,22-;/m1./s1

InChIKey

InChIKey=HBKZHMZCXXQMOX-YATQZQGFSA-N

SMILES

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

Canonical SMILES

[Cl-].OC=1C=C(O)C=2C=C(OC3OC(CO)C(O)C(O)C3O)C(=[O+]C2C1)C=4C=C(O)C(O)=C(OC)C4

Other Names for this Substance

  • 1-Benzopyrylium, 2-(3,4-dihydroxy-5-methoxyphenyl)-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-, chloride (1:1)
  • Flavylium, 3-(β-D-glucopyranosyloxy)-3′,4′,5,7-tetrahydroxy-5′-methoxy-, chloride
  • Petunidin 3-glucoside
  • 1-Benzopyrylium, 2-(3,4-dihydroxy-5-methoxyphenyl)-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-, chloride
  • Glucopyranoside, petunidin-3, β-D-

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Deleted or Replaced CAS Registry Numbers

101687-32-5, 26770-37-6, 29732-62-5, 30401-54-8, 30965-60-7

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