Matsutakone - Pleurocin A Structure Elucidation

The ethyl acetate layer of T. matsutake was fractionated and purified by repeated chromatographic methods to yield the white powder matsutakone, molecular formula C₂₈H₄₄O₄. The structure of Structure of matsutakone was elucidated from its molecular formula and 1D and 2D NMR data shown in Table 1, which were used by us for challenging ACD/Structure Elucidator.

Peyssonnoside A Diterpenoids and their analogues and derivatives are well known and highly varied compounds.  Cyclopropane groups are also frequently encountered in natural products, but it is rare that highly substituted and/or embedded cyclopropanes are reported. The structural novelty of such compounds together with their bioactivity are valuable for medicinal, synthetic and biological chemists. Peyssonnoside...

Trichilianone D Trichilia species, a genus of plants from the Meliaceae family, are found in tropical forests and are used in traditional medicine. This species is poorly investigated and so a phytochemical study was published just recently [1]. This included the isolation of metabolites and the testing for antileishmanial activity. The study was focused on...

30 years after the structure of lyaline was first proposed, a new spectroscopic analysis was performed using state-of-the-art techniques to reveal errors in the original analysis, and eventually, the correct structure.

Many corrections of erroneous structures published in the literature have been made with the help of Structure Elucidator Suite. In this example, we were interested to know what the result of using Structure Elucidator for the revision of the plebeianiol A structure would be if the NMR data presented in the work of Liang and collaborators were used.

This example clearly shows how an improper axiom assumption by a researcher can lead to an incorrect structure. Employing an unbiased analysis of spectral data using Structure Elucidator Suite would allow the authors to infer the correct structure (Viridol, molecular formula C₂₀H₁₈O₆) unambiguously in several seconds.

Two heterodimers comprising an anthraquinone moiety linked to a 3-methylbenzodihydroisocoumarin unit were isolated from P. kaurabassana tubers. The NMR spectroscopic data presented therein were used by us to challenge the ACD/Structure Elucidator system, by attempting to successfully elucidate structure 1 (molecular formula C₃₁H₂₄O₁₀).

As part of an ongoing search for new bioactive natural products from the genus Pentas, Abdissa et al isolated three new naphthalenes  from the roots of P. bussei including 2,2′-binaphthralenyl-1,1′-dione, molecular formula C₃₂H₂₈O₆.

Coniothyrione is a natural product with a molecular formula of C₁₄H₉ClO₆. The ratio of the number of heavy atoms to hydrogen is 2.3 indicating an especially challenging structure elucidation.