Quantum Mechanical-NMR-Aided Configuration and Conformation of Two Unreported Macrocycles Isolated from the Soft Coral Lobophytum sp.: Energy Calculations versus Coupling Constants.
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DOI: 10.1021/acs.orglett.0c01155
Abstract: Two new macrocyclic cembranoids were isolated from the South China Sea soft coral Lobophytum sp. Quantum mechanical-nuclear magnetic resonance (QM-NMR) methods were decisive in their structural elucidation. Better performance in arriving at definitive structures was… read more here.
Keywords: mechanical nmr; quantum mechanical; soft coral; coral lobophytum ... See more keywords