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Using the traditional method of structure elucidation based on analysis of HSQC, HMBC and COSY data, the authors deduced a large part of the molecular structure, but the lack of carbons bearing hydrogen atoms prevented them to assemble the full structure. To alleviate this problem, ACD/Structure Elucidator was utilized in Trichopsistide A, molecular formula C23H29NO5.

Due to their broad peaks and wide range of chemical shifts in 1H NMR spectra, exchangeable protons are known to pose challenges in NMR interpretation, but collecting 2D spectra and selecting proper experimental conditions can sometimes be used in our favor to learn more.

Tistechok et al. described the isolation, purification, and structure elucidation of a new naphthoquinone-based meroterpenoid, Furaquinocin L from Streptomyces sp. Je 1-369, which expands the structural diversity of the furaquinocin family of natural products.

A new year is historically a time for reflection. In 2022, ACD/Labs has been in the scientific software industry for 28 years. In this blog post, Andrew Anderson reflects on three key topics have come up repeatedly in conversations with customers in 2022 that are notable for our work ahead.

From new instruments and software to the rise of the digital lab, the landscape of analytical chemistry data is constantly evolving. To stay on top of trends, we launch a comprehensive survey every few years focused on analytical chemistry data and its management. Here's what we learned.

Shaker et al. recently reported the isolation of Dichocetide D from the marine fungus Dichotomomyces cejpii under oxygen stress conditions. The structure of Dichocetide D was revised by Elyashberg et al on the basis of chemical considerations and utilization of ACD/Structure Elucidator.

Kim and coworkers isolated a new neolignan, piperkadsin C, and elucidated its structure. However, the structure was revised by the same group in their next article. Structure Elucidator Suite was used to confirm the proposed structure #2, molecular formula C20H20O6.

The highly coveted Gaussian peak, a sharp symmetrical shape on a flat baseline, is the ideal peak shape in chromatography. Why is it so highly desired? Naturally, we tend to be drawn to the beauty of symmetry, but more importantly, good peak shape is important for better resolution (Rs) and increased accuracy in quantitation.

The herb Radix Glycyrrhizae has been used as a traditional Chinese medicine for more than a thousand years. Zhao et al isolated a novel symmetrical cyclooctenone compound and elucidated its structure (molecular formula C23H34O4).

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