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The structural elucidation of a novel iridoid derivative from Tachiadenus longiflorus (Gentianaceae) using the LSD programme and quantum chemical computations
Author(s) -
Mulholland D. A.,
Langlois A.,
Randrianarivelojosia M.,
Derat E.,
Nuzillard J.M.
Publication year - 2006
Publication title -
phytochemical analysis
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.574
H-Index - 72
eISSN - 1099-1565
pISSN - 0958-0344
DOI - 10.1002/pca.890
Subject(s) - chemistry , gentianaceae , scopoletin , quantum chemical , derivative (finance) , iridoid , stereochemistry , computational chemistry , organic chemistry , molecule , botany , medicine , pathology , glycoside , financial economics , economics , biology , alternative medicine
Oleanolic acid, scoparone, scopoletin and a novel iridoid derivative, angelone, were isolated from Tachiadenus longiflorus (Gentianaceae). The structure of angelone was determined from NMR data, given as input to the Logic for Structure Determination Programme, and was finally confirmed by comparison of experimental 13 C‐NMR chemical shifts with those obtained by quantum mechanical calculations. Copyright © 2005 John Wiley & Sons, Ltd.