Malvidin_coumaroyl-3Oglucoside

Malvidin-3-O-(6-p-coumaroyl)glucoside
Names
	IUPAC name 4′,5,7-Trihydroxy-3-{6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranosyloxy}-3′,5′-dimethoxyflavylium
	Systematic IUPAC name (42R,43S,44R,45R,46S,8E)-14,25,27,43,44,45,104-Heptahydroxy-13,15-dimethoxy-7-oxo-21λ4-3,6-dioxa-2(2,3)-[1]benzopyrana-4(2,6)-oxana-1,10(1)-dibenzenadecaphan-8-en-21-ylium
	Other names Malvidin 3-O-(6″-p-coumaroyl)glucoside
Identifiers
3D model (JSmol)	Interactive image;
ChemSpider	30779237;
PubChem CID	71308234;
	InChI InChI=1S/C32H30O14/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)/p+1/t25-,28-,29+,30-,32-/m1/s1 Key: HXQOVGDXCHFLOP-KWNZYCHBSA-O;
	SMILES O[C@@H]4[C@@H](O)[C@H](O)[C@@H](OC2=CC=1C(O)=CC(O)=CC=1[O+]=C2C3=CC(OC)=C(O)C(=C3)OC)O[C@H]4COC(=O)/C=C/C5=CC=C(O)C=C5;
Properties
Chemical formula	C32H31O14
Molar mass	639.58 g/mol
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Malvidin-3-<i>O</i>-(6-<i>p</i>-coumaroyl)glucoside

Malvidin-3-O-(6-p-coumaroyl)glucoside

Chemical compound

Malvidin-3-O-(6-p-coumaroyl)glucoside is a p-coumaroylated anthocyanin found in grape and wine.^[1] There are two forms with the cis and trans isomers of p-coumaric acid. It is a cation.

Quick Facts Names, Identifiers ...

This article uses material from the Wikipedia article Malvidin_coumaroyl-3Oglucoside, and is written by contributors. Text is available under a CC BY-SA 4.0 International License; additional terms may apply. Images, videos and audio are available under their respective licenses.

Names

IUPAC name 4′,5,7-Trihydroxy-3-{6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranosyloxy}-3′,5′-dimethoxyflavylium
Systematic IUPAC name (4²R,4³S,4⁴R,4⁵R,4⁶S,8E)-1⁴,2⁵,2⁷,4³,4⁴,4⁵,10⁴-Heptahydroxy-1³,1⁵-dimethoxy-7-oxo-2¹λ⁴-3,6-dioxa-2(2,3)-[1]benzopyrana-4(2,6)-oxana-1,10(1)-dibenzenadecaphan-8-en-2¹-ylium
Other names Malvidin 3-O-(6″-p-coumaroyl)glucoside
Identifiers
3D model (JSmol)	Interactive image
ChemSpider	30779237
PubChem CID	71308234
InChI InChI=1S/C32H30O14/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)/p+1/t25-,28-,29+,30-,32-/m1/s1 Key: HXQOVGDXCHFLOP-KWNZYCHBSA-O
SMILES O[C@@H]4[C@@H](O)[C@H](O)[C@@H](OC2=CC=1C(O)=CC(O)=CC=1[O+]=C2C3=CC(OC)=C(O)C(=C3)OC)O[C@H]4COC(=O)/C=C/C5=CC=C(O)C=C5
Properties
Chemical formula	C₃₂H₃₁O₁₄
Molar mass	639.58 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references