Conformational analysis of a 7,8-epoxycembranoid

Add time:08/17/2019    Source:sciencedirect.com

An analysis of the solution conformation of (1S,2E,4S,6R,7R,8R,11E)-7,8-epoxy-2,11-cembradiene-4,6-diol (1), a tobacco diterpenoid, has been performed by using NMR methods, molecular mechanics calculations and molecular dynamics simulations, and the solid state structure has been determined by X-ray analysis. The results obtained indicate that the solid state structure is essentially retained in solution.

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