3-methoxy-4-hydroxy-5-all-trans-hexaprenylbenzoate
IUPAC 名称
4-carboxy-2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-6-methoxybenzen-1-olate
描述
3-methoxy-4-hydroxy-5-all-trans-hexaprenylbenzoate, also known as 3-hexaprenyl-4-hydroxy-5-methoxybenzoate anion, is a member of the class of compounds known as sesterterpenoids. Sesterterpenoids are terpenes composed of five consecutive isoprene units. 3-methoxy-4-hydroxy-5-all-trans-hexaprenylbenzoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 3-methoxy-4-hydroxy-5-all-trans-hexaprenylbenzoate can be found in a number of food items such as borage, apricot, red rice, and buffalo currant, which makes 3-methoxy-4-hydroxy-5-all-trans-hexaprenylbenzoate a potential biomarker for the consumption of these food products.
异构
[H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=CC(=CC(OC)=C1[O-])C(O)=O)=C(\C)CCC=C(C)C
InChI标识符
InChI=1S/C38H56O4/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(38(40)41)27-36(42-8)37(34)39/h14,16,18,20,22,24,26-27,39H,9-13,15,17,19,21,23,25H2,1-8H3,(H,40,41)/p-1/b29-16+,30-18+,31-20+,32-22+,33-24+
键
YSZSVGFMAJXGMQ-FRICUITQSA-M