Stereochemistry of Terpenoids

Comparison of experimental and calculated ECD spectra

A Chirascan case study.

Wei Et Al

In this study, eight new polyoxygenated cyathane diterpenoids isolated from the mushroom Cyathus africanus were characterised for their stereochemistry. These compounds have potential anti-neuroinflammatory effects.

The absolute configuration was determined with high agreement between experimental data and DFT/TDDFT calculations.

See the original paper here:

Wei et al. 2018, Sci. Rep. 8:2175

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Have a look at the system that was used in this study.