Malvidin 3-(6-O-p-coumaryl),5-O-diglucoside

CAS Registry Number®

51939-51-6

CAS Name

Malvidin 3-(6-O-p-coumaryl),5-O-diglucoside

Molecular Formula

C38H41O19.Cl

Cite this Page

Malvidin 3-(6-O-p-coumaryl),5-O-diglucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=51939-51-6 (retrieved 2024-11-24) (CAS RN: 51939-51-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H40O19.ClH/c1-50-23-9-17(10-24(51-2)29(23)43)36-25(13-20-21(53-36)11-19(41)12-22(20)54-37-34(48)32(46)30(44)26(14-39)56-37)55-38-35(49)33(47)31(45)27(57-38)15-52-28(42)8-5-16-3-6-18(40)7-4-16;/h3-13,26-27,30-35,37-39,44-49H,14-15H2,1-2H3,(H2-,40,41,42,43);1H/t26-,27-,30-,31-,32+,33+,34-,35-,37-,38-;/m1./s1

InChIKey

InChIKey=BXXAIKSUYXIZBI-RTSYJSFQSA-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]5O[C@H](COC(C=CC6=CC=C(O)C=C6)=O)[C@@H](O)[C@H](O)[C@H]5O.[Cl-]

Canonical SMILES

[Cl-].O=C(OCC1OC(OC2=CC=3C(OC4OC(CO)C(O)C(O)C4O)=CC(O)=CC3[O+]=C2C=5C=C(OC)C(O)=C(OC)C5)C(O)C(O)C1O)C=CC6=CC=C(O)C=C6

Other Names for this Substance

  • 1-Benzopyrylium, 5-(β-D-glucopyranosyloxy)-7-hydroxy-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)
  • 1-Benzopyrylium, 5-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-, chloride
  • Tibouchinin
  • Malvidin-3-(6-O-p-coumarylglucoside)-5-glucoside
  • Malvidin 3-(6-O-p-coumaryl),5-O-diglucoside

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Deleted or Replaced CAS Registry Numbers

52796-12-0, 75082-71-2, 85888-42-2

CAS INSIGHTSTM
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