5-Carboxypyranopelargonidin 3-O-beta-glucopyranoside
IUPAC 名称
7-carboxy-11-hydroxy-3-(4-hydroxyphenyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),2,4,6,9,11-hexaen-2-ylium
描述
5-carboxypyranopelargonidin 3-o-beta-glucopyranoside is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 5-carboxypyranopelargonidin 3-o-beta-glucopyranoside can be found in strawberry, which makes 5-carboxypyranopelargonidin 3-o-beta-glucopyranoside a potential biomarker for the consumption of this food product.
异构
OC[C@H]1O[C@@H](OC2=C3C=C(OC4=CC(O)=CC([O+]=C2C2=CC=C(O)C=C2)=C34)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
InChI标识符
InChI=1S/C24H20O12/c25-8-16-18(28)19(29)20(30)24(35-16)36-22-12-7-15(23(31)32)33-13-5-11(27)6-14(17(12)13)34-21(22)9-1-3-10(26)4-2-9/h1-7,16,18-20,24-25,28-30H,8H2,(H2-,26,27,31,32)/p+1/t16-,18-,19+,20-,24+/m1/s1
键
AXDSYHMPWOHFSW-KXJGTOPRSA-O