1-Benzopyrylium, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride

CAS Registry Number®

53925-29-4

CAS Name

1-Benzopyrylium, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride

Molecular Formula

C29H35O16.Cl

Cite this Page

1-Benzopyrylium, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53925-29-4 (retrieved 2024-11-08) (CAS RN: 53925-29-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H34O16.ClH/c1-10-20(32)23(35)25(37)28(41-10)44-18-8-13-14(42-27(18)11-4-16(39-2)21(33)17(5-11)40-3)6-12(31)7-15(13)43-29-26(38)24(36)22(34)19(9-30)45-29;/h4-8,10,19-20,22-26,28-30,32,34-38H,9H2,1-3H3,(H-,31,33);1H/t10-,19+,20-,22+,23+,24-,25+,26+,28-,29+;/m0./s1

InChIKey

InChIKey=WFHWBDWKDCFEFI-RURKXIRRSA-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(OC)=C(O)C(OC)=C4)[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5.[Cl-]

Canonical SMILES

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

Other Names for this Substance

  • 1-Benzopyrylium, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride
  • 5-(D-Glucosyloxy)-4′,7-dihydroxy-3′,5′-dimethoxy-3-(rhamnosyloxy)flavylium chloride
  • Malvidin, 5-glucoside 3-rhamnoside
  • Malvidin 3-rhamnoside 5-glucoside

Deleted or Replaced CAS Registry Numbers

84965-04-8

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles