14-Hydroxy-25-desoxyrollinicin
IUPAC 名称
5-methyl-3-(2,12,13-trihydroxy-13-{5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl}tridecyl)-2,5-dihydrofuran-2-one
描述
14-hydroxy-25-desoxyrollinicin is a member of the class of compounds known as annonaceous acetogenins. Annonaceous acetogenins are waxy derivatives of fatty acids (usually C32 or C34), containing a terminal carboxylic acid combined with a 2-propanol unit at the C-2 position to form a methyl- substituted alpha,beta-unsaturated-gamma-lactone. One of their interesting structural features is a single, adjacent, or nonadjacent tetrahydrofuran (THF) or tetrahydropyran (THP) system with one or two flanking hydroxyl group(s) at the center of a long hydrocarbon chain. 14-hydroxy-25-desoxyrollinicin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 14-hydroxy-25-desoxyrollinicin can be found in custard apple, which makes 14-hydroxy-25-desoxyrollinicin a potential biomarker for the consumption of this food product.
异构
CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)C(O)CCCCCCCCCC(O)CC1=CC(C)OC1=O
InChI标识符
InChI=1S/C37H66O8/c1-3-4-5-6-7-10-13-16-19-30(39)32-21-22-33(44-32)34-23-24-35(45-34)36(41)31(40)20-17-14-11-8-9-12-15-18-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3
键
HCDACRMLTKJUNU-UHFFFAOYSA-N