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

Delphinidin-3-O-(6-p-coumaroyl)glucoside
Names
	IUPAC name 3′,4′,5,5′,7-Pentahydroxy-3-{6-O-[3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-galactopyranosyloxy}flavylium
	Systematic IUPAC name (42S,43R,44S,45S,46R,8E)-13,14,15,25,27,43,44,45,104-Nonahydroxy-7-oxo-3,6-dioxa-21λ4-2(2,3)-[1]benzopyrana-4(2,6)-oxana-1,10(1)-dibenzenadecaphan-8-en-21-ylium
	Other names Delphinidin-3-O-p-coumaroyl glucoside
Identifiers
CAS Number	339080-03-4 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:75677;
ChemSpider	26559505;
KEGG	C16370;
PubChem CID	15922818;
CompTox Dashboard (EPA)	DTXSID801030109 ;
	InChI InChI=1S/C30H26O14/c31-15-4-1-13(2-5-15)3-6-24(36)41-12-23-26(38)27(39)28(40)30(44-23)43-22-11-17-18(33)9-16(32)10-21(17)42-29(22)14-7-19(34)25(37)20(35)8-14/h1-11,23,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1/t23-,26-,27+,28-,30-/m1/s1 Key: DHTPVCYNNWQRMN-LHRGPQAGSA-O; InChI=1/C30H26O14/c31-15-4-1-13(2-5-15)3-6-24(36)41-12-23-26(38)27(39)28(40)30(44-23)43-22-11-17-18(33)9-16(32)10-21(17)42-29(22)14-7-19(34)25(37)20(35)8-14/h1-11,23,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1/t23-,26-,27+,28-,30-/m1/s1 Key: DHTPVCYNNWQRMN-LEURJHHLBH;
	SMILES c1cc(ccc1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc4c(cc(cc4[o+]c3c5cc(c(c(c5)O)O)O)O)O)O)O)O)O;
Properties
Chemical formula	C; 30H; 27O+; 14
Molar mass	611.52 g/mol
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Delphinidin 3-O-(6-p-coumaroyl)glucoside is a p-coumaroylated anthocyanin. It can be found in some red Vitis vinifera grape cultivars (like Graciano^[2]) and in red wine.^[3]

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Biosynthesis

Names

IUPAC name 3′,4′,5,5′,7-Pentahydroxy-3-{6-O-[3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-galactopyranosyloxy}flavylium
Systematic IUPAC name (4²S,4³R,4⁴S,4⁵S,4⁶R,8E)-1³,1⁴,1⁵,2⁵,2⁷,4³,4⁴,4⁵,10⁴-Nonahydroxy-7-oxo-3,6-dioxa-2¹λ⁴-2(2,3)-[1]benzopyrana-4(2,6)-oxana-1,10(1)-dibenzenadecaphan-8-en-2¹-ylium
Other names Delphinidin-3-O-p-coumaroyl glucoside
Identifiers
CAS Number	339080-03-4^[1]^N
3D model (JSmol)	Interactive image
ChEBI	CHEBI:75677
ChemSpider	26559505
KEGG	C16370
PubChem CID	15922818
CompTox Dashboard (EPA)	DTXSID801030109
InChI InChI=1S/C30H26O14/c31-15-4-1-13(2-5-15)3-6-24(36)41-12-23-26(38)27(39)28(40)30(44-23)43-22-11-17-18(33)9-16(32)10-21(17)42-29(22)14-7-19(34)25(37)20(35)8-14/h1-11,23,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1/t23-,26-,27+,28-,30-/m1/s1 Key: DHTPVCYNNWQRMN-LHRGPQAGSA-O InChI=1/C30H26O14/c31-15-4-1-13(2-5-15)3-6-24(36)41-12-23-26(38)27(39)28(40)30(44-23)43-22-11-17-18(33)9-16(32)10-21(17)42-29(22)14-7-19(34)25(37)20(35)8-14/h1-11,23,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1/t23-,26-,27+,28-,30-/m1/s1 Key: DHTPVCYNNWQRMN-LEURJHHLBH
SMILES c1cc(ccc1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc4c(cc(cc4[o+]c3c5cc(c(c(c5)O)O)O)O)O)O)O)O)O
Properties
Chemical formula	C ₃₀H ₂₇O⁺ ₁₄
Molar mass	611.52 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references