Connection of Isolated Stereoclusters by Combining 13C-RCSA,RDC, and J-Based Configurational Analyses and Structural Revision of a Tetraprenyltoluquinol Chromane Meroterpenoid from Sargassum muticum |
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Authors: | Juan Carlos C. Fuentes-Monteverde,Nilamoni Nath,Abel M. Forero,Elena M. Balboa,Armando Navarro-Vá zquez,Christian Griesinger,Carlos Jimé nez,Jaime Rodrí guez |
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Abstract: | The seaweed Sargassum muticum, collected on the southern coast of Galicia, yielded a tetraprenyltoluquinol chromane meroditerpene compound known as 1b, whose structure is revised. The relative configuration of 1b was determined by J-based configurational methodology combined with an iJ/DP4 statistical analysis and further confirmed by measuring two anisotropic properties: carbon residual chemical shift anisotropies (13C-RCSAs) and one-bond 1H-13C residual dipolar couplings (1DCH-RDCs). The absolute configuration of 1b was deduced by ECD/OR/TD-DFT methods and established as 3R,7S,11R. |
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Keywords: | Sargassum muticum meroditerpene coupling constants J-DP4 13C-RCSA RDC ECD/OR |
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