3-Ishwarone, a Rare Ishwarane Sesquiterpene from Peperomia scandens Ruiz & Pavon: Structural Elucidation through a Joint Experimental and Theoretical Study

3-Ishwarone, a Rare Ishwarane Sesquiterpene from Peperomia scandens Ruiz & Pavon: Structural Elucidation through a Joint Experimental and Theoretical Study

3-Ishwarone, (1), a sesquiterpene with a rare ishwarane skeleton, was isolated from Peperomia scandens Ruiz & Pavon (Piperaceae). Its structure was unambiguously determined by 1D- and 2D-NMR and infrared analyses, as well as by comparative theoretical studies which involved calculations of 1...

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Bibliographic Details
Main Authors: Fernando M. dos S., Leosvaldo S. M. Velozo, Erika M. de Carvalho, André M. Marques, Ricardo M. Borges, Ana Paula F. Trindade, Maria Isabel S. dos Santos, Ana Carolina F. de Albuquerque, Fabio L.P. Costa, Maria Auxiliadora C. Kaplan, Mauro B. de Amorim
Format: Article
Language:English
Published: MDPI AG 2013-10-01
Series:Molecules
Subjects:
3-ishwarone
structure elucidation
IR spectra simulation
NMR chemical shift calculation
molecular modeling
Online Access:http://www.mdpi.com/1420-3049/18/11/13520

Internet

http://www.mdpi.com/1420-3049/18/11/13520

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