IUPAC 名称
(2S,4E)-4-{2-[(2S)-2-carboxylato-5-{[(3R,4S,5S,6R)-3-{[(3R,4S,5S,6S)-6-carboxylato-4,5-dihydroxy-3-{[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxy-2,3-dihydro-1H-1λ⁵-indol-1-ylium-1-ylidene]ethylidene}-1,2,3,4-tetrahydropyridin-1-ium-2,6-dicarboxylate
描述
Celosianin is also known as 4-coumaroylamaranthin. Celosianin is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Celosianin can be found in spinach, which makes celosianin a potential biomarker for the consumption of this food product.
InChI标识符
InChI=1S/C39H40N2O21/c42-14-25-27(46)28(47)33(62-39-32(30(49)29(48)31(61-39)37(56)57)60-26(45)6-3-15-1-4-18(43)5-2-15)38(59-25)58-24-12-17-11-22(36(54)55)41(21(17)13-23(24)44)8-7-16-9-19(34(50)51)40-20(10-16)35(52)53/h1-9,12-13,20,22,25,27-33,38-39,42,46-49H,10-11,14H2,(H6,43,44,45,50,51,52,53,54,55,56,57)/p-2/t20-,22-,25+,27+,28-,29-,30-,31-,32+,33+,38?,39?/m0/s1