1-Benzopyrylium, 3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride

CAS Registry Number®

55169-25-0
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CAS Name

1-Benzopyrylium, 3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride

Molecular Formula

C27H31O17.Cl

Cite this Page

1-Benzopyrylium, 3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55169-25-0 (retrieved 2024-09-21) (CAS RN: 55169-25-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H30O17.ClH/c28-6-16-19(34)21(36)23(38)26(43-16)40-7-17-20(35)22(37)24(39)27(44-17)42-15-5-10-11(30)3-9(29)4-14(10)41-25(15)8-1-12(31)18(33)13(32)2-8;/h1-5,16-17,19-24,26-28,34-39H,6-7H2,(H4-,29,30,31,32,33);1H/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-;/m1./s1

InChIKey

InChIKey=JKZYNRMMPQJEJR-LYQFWTOWSA-N

SMILES

O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(O)=C(O)C(O)=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.[Cl-]

Canonical SMILES

[Cl-].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=C(O)C(O)=C(O)C5

Other Names for this Substance

  • 1-Benzopyrylium, 3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride
  • Delphinidin 3-gentiobioside