Saturday, March 17, 2012

Marcelo A. Muñoz, Nury Perez-Hernandez, Mariano W. Pertino§, Guillermo Schmeda-Hirschmann§, and Pedro Joseph-Nathan*
Instituto de Ciencias Químicas, Facultad de Ciencias, Universidad Austral de Chile, Casilla 567, Valdivia, Chile
Programa Institucional de Biomedicina Molecular, Escuela Nacional de Medicina y Homeopatía, Instituto Politécnico Nacional, México, D. F., 07320 México
§ Instituto de Química de Recursos Naturales, Universidad de Talca, Casilla 747, Talca, Chile
Departamento de Química, Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional, Apartado 14-740, México, D. F., 07000 México
J. Nat. Prod., Article ASAP
DOI: 10.1021/np200951y
Publication Date (Web): March 16, 2012

The correction of patented structure 1 of rosmaridiphenol, an antioxidant isolated from rosemary, Rosmarinus officinalis, was made recently. The correct structure is proposed as 11,12-dihydroxy-8,11,13-icetexatrien-1-one (2a) based on 2D NMR data. In order to further support the structure, this work reports the single-crystal X-ray analysis, the complete 1H NMR assignment by full spin–spin simulation, and the absolute configuration of the diacetate 2b derived via vibrational circular dicroism measurements in comparison with density functional theory calculated data.

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