Kaurenoic acid thujanol ester
IUPAC 名称
4-methyl-1-(propan-2-yl)cyclohex-3-en-1-yl (1S,4S,5R,9S,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
描述
Kaurenoic acid thujanol ester is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Kaurenoic acid thujanol ester can be found in sunflower, which makes kaurenoic acid thujanol ester a potential biomarker for the consumption of this food product.
异构
[H][C@@]12CC[C@@H]3C[C@]1(CC3=C)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OC1(CCC(C)=CC1)C(C)C
InChI标识符
InChI=1S/C30H46O2/c1-20(2)30(16-10-21(3)11-17-30)32-26(31)28(6)14-7-13-27(5)24(28)12-15-29-18-22(4)23(19-29)8-9-25(27)29/h10,20,23-25H,4,7-9,11-19H2,1-3,5-6H3/t23-,24+,25+,27-,28-,29-,30?/m1/s1
键
CMRBNBQSOJNLFB-AHPUQKNMSA-N