3,4-dihydroxy-5-all-trans-heptaprenylbenzoate
IUPAC 名称
5-carboxy-3-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]-2-hydroxybenzen-1-olate
描述
3,4-dihydroxy-5-all-trans-heptaprenylbenzoate, also known as 3-all-trans-hexaprenyl-4,5-dihydroxybenzoate or 3-heptaprenyl-4,5-dihydroxybenzoic acid, is a member of the class of compounds known as sesquaterpenoids. Sesquaterpenoids are terpenoids with at least 7 consecutive isoprene units. 3,4-dihydroxy-5-all-trans-heptaprenylbenzoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 3,4-dihydroxy-5-all-trans-heptaprenylbenzoate can be found in a number of food items such as other soy product, sweet orange, kohlrabi, and sago palm, which makes 3,4-dihydroxy-5-all-trans-heptaprenylbenzoate 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])CC\C(C)=C(/[H])CC1=CC(=CC([O-])=C1O)C(O)=O)=C(\C)CCC=C(C)C
InChI标识符
InChI=1S/C42H62O4/c1-31(2)15-9-16-32(3)17-10-18-33(4)19-11-20-34(5)21-12-22-35(6)23-13-24-36(7)25-14-26-37(8)27-28-38-29-39(42(45)46)30-40(43)41(38)44/h15,17,19,21,23,25,27,29-30,43-44H,9-14,16,18,20,22,24,26,28H2,1-8H3,(H,45,46)/p-1/b32-17+,33-19+,34-21+,35-23+,36-25+,37-27+
键
LIEYLSGXGOXYTD-CTBYCIIYSA-M