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Two new lignan-iridoid glucoside diesters from the leaves of Vaccinium bracteatum and their relative and absolute configuration determination by DFT NMR and TDDFT-ECD calculation

Author:
Yong-Mei Ren, Chang-Qiang Ke, Attila Mándi, Tibor Kurtán, Chunping Tang, Sheng Yao, Yang Ye
Source:
Tetrahedron 2017 pp. -
ISSN:
0040-4020
Subject:
Vaccinium bracteatum, biochemical pathways, chemical reactions, chemical structure, circular dichroism spectroscopy, glucosides, iridoids, leaves, lignans, nuclear magnetic resonance spectroscopy, spectral analysis
Abstract:
Two new lignan-iridoid glucoside diesters (2 and 3), together with their putative biosynthetic precursor 10-O-trans-caffeoyl-6α-hydroxyl-dihydromonotropein (1), were characterized from the leaves of Vaccinium bracteatum. Their planar structures and relative configuration were elucidated by spectroscopic measurements and DFT C NMR calculations, and their absolute configurations were determined by time-dependent density functional theory (TDDFT) electronic circular dichroism (ECD) calculations. The plausible biosynthetic pathways of new compounds were also proposed.
Agid:
5679762