2-(3,4-Dihydroxyphenyl)-3-[(6-O-β-D-glucopyranosyl-β-D-galactopyranosyl)oxy]-5,7-dihydroxy-1-benzopyrylium

CAS Registry Number®

142562-01-4

CAS Name

2-(3,4-Dihydroxyphenyl)-3-[(6-O-β-D-glucopyranosyl-β-D-galactopyranosyl)oxy]-5,7-dihydroxy-1-benzopyrylium

Molecular Formula

C27H31O16

Cite this Page

2-(3,4-Dihydroxyphenyl)-3-[(6-O-β-D-glucopyranosyl-β-D-galactopyranosyl)oxy]-5,7-dihydroxy-1-benzopyrylium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=142562-01-4 (retrieved 2024-11-24) (CAS RN: 142562-01-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)39-8-18-20(34)22(36)24(38)27(43-18)41-16-6-11-13(31)4-10(29)5-15(11)40-25(16)9-1-2-12(30)14(32)3-9/h1-6,17-24,26-28,33-38H,7-8H2,(H3-,29,30,31,32)/p+1/t17-,18-,19-,20+,21+,22+,23-,24-,26-,27-/m1/s1

InChIKey

InChIKey=SOSQBIZNYUDNPG-HGHVJJQGSA-O

SMILES

O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(O)=C(O)C=C3)[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O

Canonical SMILES

OC=1C=C(O)C=2C=C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(=[O+]C2C1)C=5C=CC(O)=C(O)C5

Other Names for this Substance

  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[(6-O-β-D-glucopyranosyl-β-D-galactopyranosyl)oxy]-5,7-dihydroxy-
  • 2-(3,4-Dihydroxyphenyl)-3-[(6-O-β-D-glucopyranosyl-β-D-galactopyranosyl)oxy]-5,7-dihydroxy-1-benzopyrylium
  • Cyanidin-3-(6′′-glucosyl-galactoside)

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