Peonidin-3-O-glucoside

Peonidin-3-O-glucoside
Names
	IUPAC name 3-(β-D-Glucopyranosyloxy)-4′,5,7-trihydroxy-3′-methoxyflavylium
	Systematic IUPAC name 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ4-benzopyran-1-ylium
	Other names Peonidin-3-glucoside; Peonidin 3-O-glucoside
Identifiers
CAS Number	68795-37-9; 6906-39-4 (chloride);
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:74793;
ChemSpider	391786;
KEGG	C12141 ;
PubChem CID	443654;
CompTox Dashboard (EPA)	DTXSID70988503 ;
	InChI InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1 Key: ZZWPMFROUHHAKY-OUUKCGNVSA-O;
	SMILES COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O;
Properties
Chemical formula	C; 22H; 23O+; 11; C22H23O11Cl (chloride)
Molar mass	463.41 g/mol; 498.9 g/mol (chloride)
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Peonidin-3-O-glucoside is anthocyanin. It is found in fruits and berries, in red Vitis vinifera grapes and red wine,^[1] in red onions and in purple corn.^[2] It is dark red to purple in colour.

References

^ Peonidin 3-O-glucoside on www.phenol-explorer.eu
^ Anthocyanins isolated from purple corn (Zea mays L.). Hiromitsu Aoki, Noriko Kuze and Yoshiaki Kato (article Archived 2013-10-29 at the Wayback Machine)

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Names

IUPAC name 3-(β-D-Glucopyranosyloxy)-4′,5,7-trihydroxy-3′-methoxyflavylium
Systematic IUPAC name 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-benzopyran-1-ylium
Other names Peonidin-3-glucoside Peonidin 3-O-glucoside
Identifiers
CAS Number	68795-37-9 6906-39-4 (chloride)
3D model (JSmol)	Interactive image
ChEBI	CHEBI:74793
ChemSpider	391786
KEGG	C12141^Y
PubChem CID	443654
CompTox Dashboard (EPA)	DTXSID70988503
InChI InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1 Key: ZZWPMFROUHHAKY-OUUKCGNVSA-O
SMILES COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
Properties
Chemical formula	C ₂₂H ₂₃O⁺ ₁₁ C₂₂H₂₃O₁₁Cl (chloride)
Molar mass	463.41 g/mol 498.9 g/mol (chloride)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references