3,4-dihydroxy-5-all-trans-decaprenylbenzoate
IUPAC 名称
5-carboxy-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-2-hydroxybenzen-1-olate
描述
3,4-dihydroxy-5-all-trans-decaprenylbenzoate, also known as all-trans-3-decaprenyl-4,5-dihydroxybenzoate, is a member of the class of compounds known as polyterpenoids. Polyterpenoids are terpenoids consisting of more than eight isoprene units. 3,4-dihydroxy-5-all-trans-decaprenylbenzoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 3,4-dihydroxy-5-all-trans-decaprenylbenzoate can be found in a number of food items such as european plum, wild carrot, black walnut, and cashew nut, which makes 3,4-dihydroxy-5-all-trans-decaprenylbenzoate 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])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/C57H86O4/c1-43(2)21-12-22-44(3)23-13-24-45(4)25-14-26-46(5)27-15-28-47(6)29-16-30-48(7)31-17-32-49(8)33-18-34-50(9)35-19-36-51(10)37-20-38-52(11)39-40-53-41-54(57(60)61)42-55(58)56(53)59/h21,23,25,27,29,31,33,35,37,39,41-42,58-59H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,60,61)/p-1/b44-23+,45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+
键
HGWUGDIATLOPBN-BHZQGFRMSA-M