Nomilinic acid 17-O-beta-D-glucoside,化合物成分

Nomilinic acid 17-O-beta-D-glucoside

public_id

FDB005058

IUPAC 名称

(2S,3'S,4aR,5R,6R,8aR)-5-[(1R)-1-(acetyloxy)-2-carboxyethyl]-2-[(R)-(furan-3-yl)({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-6-(2-hydroxypropan-2-yl)-2,5,8a-trimethyl-8-oxo-octahydro-2H-spiro[naphthalene-1,2'-oxirane]-3'-carboxylic acid

描述

Nomilinic acid 17-o-beta-d-glucoside is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Nomilinic acid 17-o-beta-d-glucoside can be found in lemon, mandarin orange (clementine, tangerine), and sweet orange, which makes nomilinic acid 17-o-beta-d-glucoside a potential biomarker for the consumption of these food products.

CAS号

异构

[H][C@](CC(O)=O)(OC(C)=O)[C@@]1(C)[C@@]([H])(CC(=O)[C@]2(C)[C@]1([H])CC[C@@](C)([C@@]([H])(O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)C1=COC=C1)C21O[C@]1([H])C(O)=O)C(C)(C)O

InChI标识符

InChI=1S/C34H48O16/c1-15(36)47-21(12-22(38)39)32(5)18-7-9-31(4,34(27(50-34)28(43)44)33(18,6)20(37)11-19(32)30(2,3)45)26(16-8-10-46-14-16)49-29-25(42)24(41)23(40)17(13-35)48-29/h8,10,14,17-19,21,23-27,29,35,40-42,45H,7,9,11-13H2,1-6H3,(H,38,39)(H,43,44)/t17-,18-,19+,21-,23-,24+,25-,26+,27-,29+,31+,32-,33+,34?/m1/s1

键

MUZNNCNJBAPYJF-UNWTYGGYSA-N

平均分子量

712.294235466

id

5059

含有化合物的食物