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

CAS Registry Number®

38820-68-7

CAS Name

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

Molecular Formula

C27H31O16.Cl

Cite this Page

1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[(2-O-β-D-glucopyranosyl-α-D-glucopyranosyl)oxy]-5,7-dihydroxy-, chloride (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=38820-68-7 (retrieved 2024-12-18) (CAS RN: 38820-68-7).  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(34)21(36)23(38)26(41-17)43-25-22(37)20(35)18(8-29)42-27(25)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9;/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33);1H/t17-,18-,19-,20-,21+,22+,23-,25-,26+,27+;/m1./s1

InChIKey

InChIKey=SGNFWBVNFUISGD-XACLPQKHSA-N

SMILES

O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(O)=C(O)C=C3)[C@@H]4[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H](CO)O4.[Cl-]

Canonical SMILES

[Cl-].OC=1C=C(O)C=2C=C(OC3OC(CO)C(O)C(O)C3OC4OC(CO)C(O)C(O)C4O)C(=[O+]C2C1)C=5C=CC(O)=C(O)C5

Other Names for this Substance

  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[(2-O-β-D-glucopyranosyl-α-D-glucopyranosyl)oxy]-5,7-dihydroxy-, chloride (1:1)
  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[(2-O-β-D-glucopyranosyl-α-D-glucopyranosyl)oxy]-5,7-dihydroxy-, chloride
  • Cyanidine 3-sophoroside
  • Cyanidin 3-sophoroside

CAS INSIGHTSTM
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