کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1407710 1501922 2006 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
DFT molecular modeling and NMR conformational analysis of a new longipinenetriolone diester
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
DFT molecular modeling and NMR conformational analysis of a new longipinenetriolone diester
چکیده انگلیسی
The structure and conformational behavior of the new natural compound (4R,5S,7S,8R,9S,10R,11R)-longipin-2-en-7,8,9-triol-1-one 7-angelate-9-isovalerate (1) isolated from Stevia eupatoria, were studied by molecular modeling and NMR spectroscopy. A Monte Carlo search followed by DFT calculations at the B3LYP/6-31G* level provided the theoretical conformations of the sesquiterpene framework, which were in full agreement with results derived from the 1H-1H coupling constant analysis.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 789, Issues 1–3, 22 May 2006, Pages 37-42
نویسندگان
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