2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-3,5-dihydroxy-1-Benzopyrylium chloride (1:1)

CAS Registry Number®

64963-51-5

CAS Name

2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-3,5-dihydroxy-1-Benzopyrylium chloride (1:1)

Molecular Formula

C21H21O11.Cl

Molecular Mass

484.84

Cite this Page

2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-3,5-dihydroxy-1-Benzopyrylium chloride (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64963-51-5 (retrieved 2025-05-17) (CAS RN: 64963-51-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)30-9-4-12(24)10-6-14(26)20(31-15(10)5-9)8-1-2-11(23)13(25)3-8;/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26);1H/t16-,17-,18+,19-,21-;/m1./s1

InChIKey

InChIKey=NCJAHOZWWNVMOF-UBNZBFALSA-N

SMILES

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

Canonical SMILES

[Cl-].OC=1C=CC(=CC1O)C2=[O+]C=3C=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C3C=C2O

Other Names for this Substance

  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-3,5-dihydroxy-, chloride (1:1)
  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-3,5-dihydroxy-, chloride
  • 2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-3,5-dihydroxy-1-Benzopyrylium chloride (1:1)

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