What is it about?

The stem of Conchocarpus mastigophorus Kallunki (Rutaceae) was solvent extracted and purified by silica-gel column chromatography to afford eleven natural products. This plant is an endemic species of the state of Bahia. The structures of all compounds were fully elucidated by spectrometric methods.NMR analyses assisted by theoretical calculations were used to elucidate the structure of a novel natural product. The absolute configuration of the lactam compound was assigned by means of vibrational circular dichroism (VCD) spectroscopy.

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Why is it important?

C. mastigophorus is a native and endemic species of Brazil that has a shrub structure of about 3 m in height, simple, leathery, alternate, and green leaves, its flowers are white and green bracts, with reports of occurrence only in the state of Bahia. Structural elucidation of a new natural product is the first step towards understanding its potential chemical and biological properties. Nuclear magnetic resonance (NMR) spectroscopy is one of the best tools to accomplish this task. A typical implementation that combines experimental NMR data and theoretical quantum mechanics calculation is common in the stereo structural assignment of a new molecule


Eleven compounds were isolated from the stem of C. mastigophorus. The structures of these compounds were determined by spectrometric methods. The potential of quantum mechanics calculations was explored as an important tool to elucidate the structure of natural products with complex NMR spectra. This work was developed in collaboration with Dr Vanderlucia Fonseca de Paula from Universidade Estadual do Sudoeste do Brasil UESB, who isolated and purified the natural compounds. Dr João Batista from Universidade Federal de São Paulo has done the VCD analyses.

Professor Elson Santiago Alvarenga
Universidade Federal de Vicosa

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This page is a summary of: Structural elucidation by NMR assisted by DFT calculations of a novel natural product from Conchocarpus mastigophorus (Rutaceae), Asian Journal of Organic Chemistry, May 2022, Wiley,
DOI: 10.1002/ajoc.202200182.
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