[12]-Shogaol
IUPAC 名称
(4E)-1-(4-hydroxy-3-methoxyphenyl)hexadec-4-en-3-one
描述
[12]-shogaol is a member of the class of compounds known as shogaols. Shogaols are ginger derivatives containing a shogaol moiety, which consists of a benzene ring bearing a dec-4-en-3-one moiety, a methoxyphenyl group, a hydroxyl group and at positions 1, 3, and 4, respectively. [12]-shogaol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). [12]-shogaol can be found in ginger, which makes [12]-shogaol a potential biomarker for the consumption of this food product.
异构
CCCCCCCCCCC\C=C\C(=O)CCC1=CC=C(O)C(OC)=C1
InChI标识符
InChI=1S/C23H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-21(24)17-15-20-16-18-22(25)23(19-20)26-2/h13-14,16,18-19,25H,3-12,15,17H2,1-2H3/b14-13+
键
WCQFXNQALHURHS-BUHFOSPRSA-N