| Autor: |
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 |
| Jazyk: |
angličtina |
| Rok vydání: |
2013 |
| Předmět: |
|
| Zdroj: |
Molecules, Vol 18, Iss 11, Pp 13520-13529 (2013) |
| Druh dokumentu: |
article |
| ISSN: |
1420-3049 |
| DOI: |
10.3390/molecules181113520 |
| Popis: |
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 13C-NMR chemical shifts, using the Density Functional Theory (DFT) with the mPW1PW91 hybrid functional and Pople’s 6-31G(d) basis set, and of vibrational frequencies, using the B3LYP hybrid functional and triple ζ Dunning’s correlation consistent basis set (cc-pVTZ), of (1) and three of its possible diastereomers, compounds 2–4. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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