Malvidin 3-chlorogenic acid glucoside
IUPAC 名称
3-{[(2S,3R,4S,5S,6R)-6-{[(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexanecarbonyloxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3-ethenyl-5-methoxy-4-methylphenyl)-5,7-dihydroxy-1λ⁴-chromen-1-ylium
描述
Malvidin 3-chlorogenic acid glucoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Malvidin 3-chlorogenic acid glucoside can be found in common grape, which makes malvidin 3-chlorogenic acid glucoside a potential biomarker for the consumption of this food product.
异构
COC1=C(C)C(C=C)=CC(=C1)C1=[O+]C2=C(C=C1O[C@@H]1O[C@H](COC(=O)[C@]3(O)C[C@@H](O)[C@@H](O)[C@@H](C3)OC(=O)\C=C\C3=CC=C(O)C(O)=C3)[C@@H](O)[C@H](O)[C@H]1O)C(O)=CC(O)=C2
InChI标识符
InChI=1S/C41H42O18/c1-4-20-10-21(11-28(54-3)18(20)2)38-30(14-23-25(44)12-22(42)13-29(23)57-38)58-39-37(51)36(50)35(49)32(59-39)17-55-40(52)41(53)15-27(46)34(48)31(16-41)56-33(47)8-6-19-5-7-24(43)26(45)9-19/h4-14,27,31-32,34-37,39,46,48-51,53H,1,15-17H2,2-3H3,(H3-,42,43,44,45,47)/p+1/t27-,31-,32-,34-,35-,36+,37-,39-,41+/m1/s1
键
HJDHBTCOFWRYMT-OJSDFYCZSA-O