5,6-Epoxy-7-megastigmen-9-one
IUPAC 名称
(3E)-4-{2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}but-3-en-2-one
描述
(5r,6s)-5,6-epoxy-7-megastigmen-9-one, also known as 5,6-epoxy-beta-ionone, is a member of the class of compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms (5r,6s)-5,6-epoxy-7-megastigmen-9-one is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (5r,6s)-5,6-epoxy-7-megastigmen-9-one can be found in garden tomato and root vegetables, which makes (5r,6s)-5,6-epoxy-7-megastigmen-9-one a potential biomarker for the consumption of these food products.
异构
CC(=O)\C=C\C12OC1(C)CCCC2(C)C
InChI标识符
InChI=1S/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3/b9-6+
键
ZTJZJYUGOJYHCU-RMKNXTFCSA-N