DP4-Assisted Structure Elucidation of Isodemethylchodatin, a New Norlichexanthone Derivative Meager in H-Atoms, from the Lichen Parmotrema tsavoense

Autor:	Thuc-Huy Duong, Mehdi A. Beniddir, Joël Boustie, Kim-Phi-Phung Nguyen, Warinthorn Chavasiri, Guillaume Bernadat, Pierre Le Pogam
Jazyk:	angličtina
Rok vydání:	2019
Předmět:	lichen xanthone norlichexanthone Parmotrema DFT-NMR Organic chemistry QD241-441
Zdroj:	Molecules, Vol 24, Iss 8, p 1527 (2019)
Druh dokumentu:	article
ISSN:	1420-3049
DOI:	10.3390/molecules24081527
Popis:	A phytochemical investigation of the foliose lichen Parmotrema tsavoense (Krog and Swinscow) Krog and Swinscow (Parmeliaceae) resulted in the isolation of a new trichlorinated xanthone, isodemethylchodatin. The structure elucidation of this new norlichexanthone derivative proved tricky owing to proton deficiency, and to the lack of NMR data of closely related analogues. The structure of this compound was determined based on an integrated interpretation of 13C-NMR chemical shifts, MS spectra, and DP4-based computational chemistry was also performed to provide an independent and unambiguous validation of the determined structure. Isodemethylchodatin represents the first chlorinated lichexanthone/norlichexanthone derivative bearing a methoxy group at C-5.
Databáze:	Directory of Open Access Journals
Externí odkaz:	https://doaj.org/article/24e6dd5c288c4a42a54cc05bb3b0bfbd Zobrazit plný text záznamu View record in DOAJ Plný text ve formátu PDF Plný text ve formátu HTML
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