Neobyakangelicol
IUPAC 名称
9-[(2-hydroxy-3-methylbut-3-en-1-yl)oxy]-4-methoxy-7H-furo[3,2-g]chromen-7-one
描述
Neobyakangelicol is a member of the class of compounds known as 5-methoxypsoralens. 5-methoxypsoralens are psoralens containing a methoxy group attached at the C5 position of the psoralen group. Neobyakangelicol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Neobyakangelicol can be found in lemon, which makes neobyakangelicol a potential biomarker for the consumption of this food product.
异构
COC1=C2C=COC2=C(OCC(O)C(C)=C)C2=C1C=CC(=O)O2
InChI标识符
InChI=1S/C17H16O6/c1-9(2)12(18)8-22-17-15-11(6-7-21-15)14(20-3)10-4-5-13(19)23-16(10)17/h4-7,12,18H,1,8H2,2-3H3
键
UBAMGTKSOKGECF-UHFFFAOYSA-N