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Product Information
Product Data
Analyte Name
Petunidin-3-Glucoside Chloride
CAS Number
6988-81-4
Molecular Formula
C22 H23 O12 . Cl
Molecular Weight
514.86
Accurate Mass
514.0878
SMILES
[Cl-].COc1cc(cc(O)c1O)c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O
InChI
1H/t16-,18-,19+,20-,22-, /h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27), /m1./s1, InChI=1S/C22H22O12.ClH/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22
IUPAC
(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
Storage & Transport Information
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Format
Neat
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