IUPAC 名称
4-carboxy-2-methoxy-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]benzen-1-olate
描述
3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate, also known as 4-hydroxy-3-methoxy-5-nonaprenylbenzoate or 3-nonaprenyl-4-hydroxy-5-methoxybenzoate, is a member of the class of compounds known as polyterpenoids. Polyterpenoids are terpenoids consisting of more than eight isoprene units. 3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate can be found in a number of food items such as kombu, yellow pond-lily, root vegetables, and triticale, which makes 3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate a potential biomarker for the consumption of these food products.
InChI标识符
InChI=1S/C53H80O4/c1-40(2)20-12-21-41(3)22-13-23-42(4)24-14-25-43(5)26-15-27-44(6)28-16-29-45(7)30-17-31-46(8)32-18-33-47(9)34-19-35-48(10)36-37-49-38-50(53(55)56)39-51(57-11)52(49)54/h20,22,24,26,28,30,32,34,36,38-39,54H,12-19,21,23,25,27,29,31,33,35,37H2,1-11H3,(H,55,56)/p-1/b41-22+,42-24+,43-26+,44-28+,45-30+,46-32+,47-34+,48-36+