Absolute configuration and 1 H NMR characterization of rosmaridiphenol diacetate

Marcelo A. Muñoz, Nury Perez-Hernandez, Mariano W. Pertino, Guillermo Schmeda-Hirschmann, Pedro Joseph-Nathan

Research output: Contribution to journalArticleResearchpeer-review

21 Citations (Scopus)

Abstract

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 1 H 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. © 2012 The American Chemical Society and American Society of Pharmacognosy.
Original languageAmerican English
Pages (from-to)779-783
Number of pages700
JournalJournal of Natural Products
DOIs
StatePublished - 27 Apr 2012

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Rosmarinus
Antioxidants
Nuclear magnetic resonance
X-Rays
X ray analysis
Density functional theory
Single crystals
rosmaridiphenol
rosmaridiphenol diacetate

Cite this

Muñoz, Marcelo A. ; Perez-Hernandez, Nury ; Pertino, Mariano W. ; Schmeda-Hirschmann, Guillermo ; Joseph-Nathan, Pedro. / Absolute configuration and 1 H NMR characterization of rosmaridiphenol diacetate. In: Journal of Natural Products. 2012 ; pp. 779-783.
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Absolute configuration and 1 H NMR characterization of rosmaridiphenol diacetate. / Muñoz, Marcelo A.; Perez-Hernandez, Nury; Pertino, Mariano W.; Schmeda-Hirschmann, Guillermo; Joseph-Nathan, Pedro.

In: Journal of Natural Products, 27.04.2012, p. 779-783.

Research output: Contribution to journalArticleResearchpeer-review

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