Petunidin 3-O-[6-O-(4-O-(E)-caffeoyl-O-alpha-rhamnopyranosyl)-beta-glucopyranoside]-5-O-beta-glucopyranoside
IUPAC 名称
2-(3,4-dihydroxy-5-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4S,5R,6R)-5-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
描述
Petunidin 3-o-[6-o-(4-o-(e)-caffeoyl-o-alpha-rhamnopyranosyl)-beta-glucopyranoside]-5-o-beta-glucopyranoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Petunidin 3-o-[6-o-(4-o-(e)-caffeoyl-o-alpha-rhamnopyranosyl)-beta-glucopyranoside]-5-o-beta-glucopyranoside can be found in potato, which makes petunidin 3-o-[6-o-(4-o-(e)-caffeoyl-o-alpha-rhamnopyranosyl)-beta-glucopyranoside]-5-o-beta-glucopyranoside a potential biomarker for the consumption of this food product.
异构
COC1=C(O)C(O)=CC(=C1)C1=[O+]C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2C=C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@H](OC(=O)\C=C\C3=CC(O)=C(O)C=C3)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChI标识符
InChI=1S/C43H48O24/c1-15-39(67-29(49)6-4-16-3-5-20(46)21(47)7-16)35(55)38(58)41(61-15)60-14-28-32(52)34(54)37(57)43(66-28)64-26-12-19-23(62-40(26)17-8-22(48)30(50)25(9-17)59-2)10-18(45)11-24(19)63-42-36(56)33(53)31(51)27(13-44)65-42/h3-12,15,27-28,31-39,41-44,51-58H,13-14H2,1-2H3,(H4-,45,46,47,48,49,50)/p+1/t15-,27-,28-,31-,32-,33+,34+,35+,36-,37-,38-,39+,41-,42-,43-/m1/s1
键
JUOSIPJKJLUJCA-RPFRYSCCSA-O