Malvidin 3-(6-O-p-coumarylglucoside)

CAS Registry Number®

34693-53-3
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CAS Name

Malvidin 3-(6-O-p-coumarylglucoside)

Molecular Formula

C32H31O14.Cl

Cite this Page

Malvidin 3-(6-O-p-coumarylglucoside).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=34693-53-3 (retrieved 2024-09-19) (CAS RN: 34693-53-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H30O14.ClH/c1-41-22-9-16(10-23(42-2)27(22)37)31-24(13-19-20(35)11-18(34)12-21(19)44-31)45-32-30(40)29(39)28(38)25(46-32)14-43-26(36)8-5-15-3-6-17(33)7-4-15;/h3-13,25,28-30,32,38-40H,14H2,1-2H3,(H3-,33,34,35,36,37);1H/t25-,28-,29+,30-,32-;/m1./s1

InChIKey

InChIKey=YXKKDOWCOCDDEW-WRYSRGQJSA-N

SMILES

O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(OC)=C(O)C(OC)=C3)[C@@H]4O[C@H](COC(C=CC5=CC=C(O)C=C5)=O)[C@@H](O)[C@H](O)[C@H]4O.[Cl-]

Canonical SMILES

[Cl-].O=C(OCC1OC(OC2=CC=3C(O)=CC(O)=CC3[O+]=C2C=4C=C(OC)C(O)=C(OC)C4)C(O)C(O)C1O)C=CC5=CC=C(O)C=C5

Other Names for this Substance

  • 1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-, chloride (1:1)
  • Enin, 6′-p-hydroxycinnamate
  • 1-Benzopyrylium, 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-, chloride
  • Malvidin 3-(6-p-coumaroyl)glucoside
  • Malvidin 3-glucoside 6-p-coumarate

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Deleted or Replaced CAS Registry Numbers

140674-93-7, 51939-68-5, 52796-13-1, 68206-51-9, 312297-80-6, 152103-71-4