Oettl, Sarah K.;Hubert, Jane;Nuzillard, Jean-Marc;Stuppner, Hermann;Renault, Jean-Hugues;Rollinger, Judith M. published 《Dereplication of depsides from the lichen Pseudevernia furfuracea by centrifugal partition chromatography combined to 13C nuclear magnetic resonance pattern recognition》 in 2014. The article was appeared in 《Analytica Chimica Acta》. They have made some progress in their research.Computed Properties of C10H12O4 The article mentions the following:
Lichens produce a diversity of secondary metabolites, among them depsides comprised of two or more hydroxybenzoic acid units linked by ester, ether, or C-C-bonds. During classic solid support-based purification processes, depsides are often hydrolyzed and in many cases time, consuming procedures result only in the isolation of decomposition products. In an attempt to avoid extensive purification steps while maintaining metabolite structure integrity, we propose an alternative method to identify the major depsides of a lichen crude extract (Pseudevernia furfuracea var. ceratea (Ach.) D.Hawksw., Parmeliaceae) directly within mixturesExploiting the acidic character of depsides and differences in polarity, the extract was fractionated by centrifugal partition chromatog. in the pH-zone refining mode resulting in twelve simplified mixtures of depsides. After 13C NMR anal. of the produced fractions, the major mol. structures were directly identified within the fraction series by using a recently developed pattern recognition method, which combines spectral data alignment and hierarchical clustering anal. The obtained clusters of 13C chem. shifts were assigned to their corresponding mol. structures with the help of an inhouse 13C NMR chem. shift database, resulting in six unambiguously identified compounds, namely Me β-orcinolcarboxylate (1), atranorin (2), 5-chloroatranorin (3), olivetol carboxylic acid (4), olivetoric acid (5), and olivetonide (6). And Methyl 2,4-dihydroxy-3,6-dimethylbenzoate (cas: 4707-47-5) was used in the research process.
Methyl 2,4-dihydroxy-3,6-dimethylbenzoate(4707-47-5) is used in biological study as role of androgens in inducing distinct response of epithelial-mesenchymal transition factors in human prostate cancer cells.Computed Properties of C10H12O4
Reference:
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Ester – an overview | ScienceDirect Topics