Absolute Configuration and 1H NMR Characterization of Rosmaridiphenol Diacetate

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• 作者：Marcelo A. Mu帽oz ; Nury Perez-Hernandez ; Mariano W. Pertino ; Guillermo Schmeda-Hirschmann ; Pedro Joseph-Nathan
• 刊名：Journal of Natural Products
• 出版年：2012
• 出版时间：April 27, 2012
• 年：2012
• 卷：75
• 期：4
• 页码：779-783
• 全文大小：285K
• 年卷期：v.75,no.4(April 27, 2012)
• ISSN：1520-6025

文摘

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鈥搒pin simulation, and the absolute configuration of the diacetate 2b derived via vibrational circular dicroism measurements in comparison with density functional theory calculated data.