Cichorioside I
IUPAC 名称
(3S,3aS,4R,4aS,9aS)-4-hydroxy-3,8-dimethyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2H,3H,3aH,4H,4aH,7H,9H,9aH-azuleno[6,5-b]furan-2,7-dione
描述
Cichorioside i is soluble (in water) and a very weakly acidic compound (based on its pKa). Cichorioside i can be found in endive, which makes cichorioside i a potential biomarker for the consumption of this food product.
异构
[H][C@]12CC(C)=C3C(=O)C=C(COC4OC(CO)C(O)C(O)C4O)[C@]3([H])[C@@H](O)[C@]1([H])[C@H](C)C(=O)O2
InChI标识符
InChI=1S/C21H28O10/c1-7-3-11-14(8(2)20(28)30-11)17(25)15-9(4-10(23)13(7)15)6-29-21-19(27)18(26)16(24)12(5-22)31-21/h4,8,11-12,14-19,21-22,24-27H,3,5-6H2,1-2H3/t8-,11-,12?,14+,15-,16?,17-,18?,19?,21?/m0/s1
键
POOPERNNBMZLBU-YFVSWLSASA-N