1-Benzopyrylium, 3-(β-D-glucopyranosyloxy)-2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-5,7-dihydroxy-, chloride

CAS Registry Number®

64963-54-8

CAS Name

1-Benzopyrylium, 3-(β-D-glucopyranosyloxy)-2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-5,7-dihydroxy-, chloride

Molecular Formula

C27H31O16.Cl

Cite this Page

1-Benzopyrylium, 3-(β-D-glucopyranosyloxy)-2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-5,7-dihydroxy-, chloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64963-54-8 (retrieved 2024-11-22) (CAS RN: 64963-54-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=UQVPITARGLTVHD-DHJOXOLYSA-N

SMILES

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

Canonical SMILES

[Cl-].OC=1C=C(O)C=2C=C(OC3OC(CO)C(O)C(O)C3O)C(=[O+]C2C1)C=4C=CC(O)=C(OC5OC(CO)C(O)C(O)C5O)C4

Other Names for this Substance

  • 1-Benzopyrylium, 3-(β-D-glucopyranosyloxy)-2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-5,7-dihydroxy-, chloride
  • Cyanidin 3,3′-diglucoside

CAS INSIGHTSTM
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