3,4-dihydroxy-5-all-trans-octaprenylbenzoate
IUPAC 名称
5-carboxy-2-hydroxy-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]benzen-1-olate
描述
3,4-dihydroxy-5-all-trans-octaprenylbenzoate, also known as 3-all-trans-octaprenyl-4,5-dihydroxybenzoate, is a member of the class of compounds known as tetraterpenoids. Tetraterpenoids are terpenoid molecules containing 10 consecutively linked isoprene units. 3,4-dihydroxy-5-all-trans-octaprenylbenzoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 3,4-dihydroxy-5-all-trans-octaprenylbenzoate can be found in a number of food items such as quinoa, pomes, rape, and black salsify, which makes 3,4-dihydroxy-5-all-trans-octaprenylbenzoate 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])CC1=CC(=CC([O-])=C1O)C(O)=O)=C(\C)CCC=C(C)C
InChI标识符
InChI=1S/C47H70O4/c1-35(2)17-10-18-36(3)19-11-20-37(4)21-12-22-38(5)23-13-24-39(6)25-14-26-40(7)27-15-28-41(8)29-16-30-42(9)31-32-43-33-44(47(50)51)34-45(48)46(43)49/h17,19,21,23,25,27,29,31,33-34,48-49H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,50,51)/p-1/b36-19+,37-21+,38-23+,39-25+,40-27+,41-29+,42-31+
键
ZTGCMYPRIIAXFD-LHSBZCSKSA-M