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Structure Determination and Mechanism of Formation of a seco-Moreliane Derivative Supported by Computational Analysis

Abstract:

Basic hydrolysis of a dichloromethane extract of Stevia lucida yielded (4R,5S,7R,9R,10R,11R)-7,9-dihydroxylongipin-2-en-1-one (1), which was oxidized and subjected to acidic conditions to generate the new seco-moreliane derivative 3. The structure of 3 was established based on NMR data interpretation and confirmed computationally. A plausible mechanism for the carbocationic rearrangement of the trione 2 to the seco-moreliane 3 was supported by DFT computations.

Año de publicación:

2017

Keywords:

    Fuente:

    scopusscopus

    Tipo de documento:

    Article

    Estado:

    Acceso restringido

    Áreas de conocimiento:

    • Química orgánica
    • Simulación por computadora

    Áreas temáticas:

    • Programación informática, programas, datos, seguridad
    • Ingeniería y operaciones afines
    • Química analítica

    Contribuidores:

    Pablo A. Chacón-MoralesPablo A. Chacón-Morales
    Juan Manuel Amaro-LuisJuan Manuel Amaro-Luis
    Kutateladze A.Kutateladze A.