3-Ethoxyniveusin A
IUPAC 名称
(1R,4R,8S,9R,11R,12S)-1-ethoxy-12-hydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradecan-9-yl (2E)-2-methylbut-2-enoate
描述
3-ethoxyniveusin a is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 3-ethoxyniveusin a can be found in sunflower, which makes 3-ethoxyniveusin a a potential biomarker for the consumption of this food product.
异构
CCO[C@@]12C[C@H](O)[C@@](C)(C[C@@H](OC(=O)C(\C)=C\C)[C@@H]3[C@@H](CC1CO)OC(=O)C3=C)O2
InChI标识符
InChI=1S/C22H32O8/c1-6-12(3)19(25)29-16-9-21(5)17(24)10-22(30-21,27-7-2)14(11-23)8-15-18(16)13(4)20(26)28-15/h6,14-18,23-24H,4,7-11H2,1-3,5H3/b12-6+/t14?,15-,16-,17+,18+,21?,22?/m1/s1
键
CQMHDUOGTKOQML-COLTVXQJSA-N