FitoterapiaMolecular StructureEthersCyclicComputer SimulationDensity Functional Theory
In silico structure revision of zerumol A.
Mikhail E Elyashberg, Andrei G Kutateladze, Roderick W Bates, Craig M Williams
Published: 202510.1016/j.fitote.2025.106914
Abstract
The structure of the recently reported natural product, zerumol A, which was proposed to contain an oxetane moiety, was reassigned to a structure containing a 5,6-dihydro-2H-pyran unit. The structure revision was performed using computer assisted str…
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