4-Demethylsimmondsin 2'-(E)-ferulate
IUPAC 名称
2-{[(2E)-2-(cyanomethylidene)-3,5-dihydroxy-4-methoxycyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
描述
Constituent of jojoba meal. 4-Demethylsimmondsin 2'-(E)-ferulate is found in coffee and coffee products, fats and oils, and nuts.
异构
COC1C(O)CC(OC2OC(CO)C(O)C(O)C2OC(=O)\C=C\C2=CC(OC)=C(O)C=C2)\C(=C\C#N)C1O
InChI标识符
InChI=1S/C25H31NO12/c1-34-17-9-12(3-5-14(17)28)4-6-19(30)38-24-22(33)21(32)18(11-27)37-25(24)36-16-10-15(29)23(35-2)20(31)13(16)7-8-26/h3-7,9,15-16,18,20-25,27-29,31-33H,10-11H2,1-2H3/b6-4+,13-7-
键
KZBHGKPXLHDZDW-VKIZFATHSA-N