Conformation analysis of three germacranolides by the PM3 semi-empirical method

Autor:	Milosavljević Slobodan, Juranić Ivan O., Aljančić Ivana, Vajs Vlatka, Todorović Nina
Jazyk:	angličtina
Rok vydání:	2003
Předmět:	germacranolides parthenolide ridentin 1β 10α-epoxy-3β 9β-diacetoxy-11α 13-dihydrocostunolide conformations pm3 semi-empirical calculations. Chemistry QD1-999
Zdroj:	Journal of the Serbian Chemical Society, Vol 68, Iss 4-5, Pp 281-289 (2003)
Druh dokumentu:	article
ISSN:	0352-5139 1820-7421
DOI:	10.2298/JSC0305281M
Popis:	The conformations of the C-6 lactonized germacranolides 1–3 were calculated by applying the PM3 semi-empirical method. The low-temperature 1H-NMR spectra of parthenolide (1) were also measured. The relations between the calculated and the experimentally determined geometries were established using a modified Karplus equation. The applied quantum-chemical calculations proved to be an efficient and easy-to-use tool for the elucidation and prediction of the properties of germacranolide-type sesquiterpene lactones.
Databáze:	Directory of Open Access Journals
Externí odkaz:	https://doaj.org/article/6c06a55746f04ec2a5e1bbabfb4f8879 Zobrazit plný text záznamu View record in DOAJ