alexa Stereostructure reassignment and absolute configuration of isoepitaondiol, a meroditerpenoid from Stypopodium flabelliforme.
Medicine

Medicine

Advanced Techniques in Biology & Medicine

Author(s): Areche C, SanMartn A, Rovirosa J, Muoz MA, HernndezBarragn A,

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Abstract Careful examination of the published NMR data for isoepitaondiol, a meroditerpenoid from Stypopodium flabelliforme, suggests that its published structure 1 must be revised. On the basis of extensive 1D and 2D NMR studies, we now propose that structure 2, with a trans-anti-trans-anti-cis arrangement fits isoepitaondiol diacetate. The relative configuration of 2 was confirmed by single-crystal X-ray diffraction, while the absolute configuration was evidenced by vibrational circular dichroism in combination with DFT B3LYP/DGDZVP calculations. This article was published in J Nat Prod and referenced in Advanced Techniques in Biology & Medicine

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