pelargonidin 3-O-β-D-p-coumaroylglucoside
IUPAC 名称
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-7-oxo-7H-chromen-3-yl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
描述
Pelargonidin 3-o-β-d-p-coumaroylglucoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pelargonidin 3-o-β-d-p-coumaroylglucoside can be found in a number of food items such as vaccinium (blueberry, cranberry, huckleberry), mugwort, tartary buckwheat, and adzuki bean, which makes pelargonidin 3-o-β-d-p-coumaroylglucoside a potential biomarker for the consumption of these food products.
异构
[H]\C(=C(\[H])C1=CC=C(O)C=C1)C(=O)OC[C@@]1([H])O[C@@]([H])(OC2=C(OC3=CC(=O)C=C(O)C3=C2)C2=CC=C(O)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
InChI标识符
InChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-26(36)27(37)28(38)30(42-24)41-23-13-20-21(34)11-19(33)12-22(20)40-29(23)16-4-8-18(32)9-5-16/h1-13,24,26-28,30-32,34,36-38H,14H2/b10-3+/t24-,26-,27+,28-,30-/m1/s1
键
CKTUEGXAYUQFCF-OTDDKLKWSA-N