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

CAS Registry Number®

88110-66-1

CAS Name

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

Molecular Formula

C33H41O21.Cl

Cite this Page

1-Benzopyrylium, 3,5-bis(β-D-glucopyranosyloxy)-2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-7-hydroxy-, chloride (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88110-66-1 (retrieved 2024-11-23) (CAS RN: 88110-66-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H40O21.ClH/c34-7-18-21(39)24(42)27(45)31(52-18)49-15-5-11(37)4-14-12(15)6-17(51-33-29(47)26(44)23(41)20(9-36)54-33)30(48-14)10-1-2-13(38)16(3-10)50-32-28(46)25(43)22(40)19(8-35)53-32;/h1-6,18-29,31-36,39-47H,7-9H2,(H-,37,38);1H/t18-,19-,20-,21-,22-,23-,24+,25+,26+,27-,28-,29-,31-,32-,33-;/m1./s1

InChIKey

InChIKey=AOSOAAMBKYANQV-KVPIIOEJSA-N

SMILES

O(C=1C(=[O+]C2=C(C1)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C2)C4=CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=C(O)C=C4)[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O.[Cl-]

Canonical SMILES

[Cl-].OC=1C=C(OC2OC(CO)C(O)C(O)C2O)C=3C=C(OC4OC(CO)C(O)C(O)C4O)C(=[O+]C3C1)C=5C=CC(O)=C(OC6OC(CO)C(O)C(O)C6O)C5

Other Names for this Substance

  • 1-Benzopyrylium, 3,5-bis(β-D-glucopyranosyloxy)-2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-7-hydroxy-, chloride (1:1)
  • 1-Benzopyrylium, 3,5-bis(β-D-glucopyranosyloxy)-2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-7-hydroxy-, chloride
  • Cyanidin 3,5,3′-triglucoside

CAS INSIGHTSTM
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