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Title: Spergulagenic Acid A: Isolation and single crystal structure elucidation
Authors: Montoya, Guillermo
Gutierrez, Gustavo
D'Vries, Richard
Ellena, Javier
Panay, Aram J.
Keywords: Bioactivity;Chlorine compounds;Hydrogen bonds;Methanol;Molecules;Crystal structure
Issue Date: 19-Jul-2019
Publisher: Elsevier B.V.
Abstract: In the present work, the crystal structure of (3b)-3-acetoxy-30-methoxy-30-oxo-olean-12-en-28-oic acid, (Spergulagenic Acid A) is presented. The compound was isolated from Cecropia telenitida roots, employing semi-pilot scale extraction system and automated flash chromatography device. Vapor diffusion of methanol in chloroform yield suitable crystals for X-ray diffraction. The crystal packing of the Spergulagenic Acid A as methanol solvate is formed by strong hydrogen bonds between the SA-A molecule and the methanol. SA-A as well other pentacyclic triterpenes, present interesting potential biological activities. Inasmuch as biological activity is clearly related to molecular structure, the main goal of the present work was the structural elucidation of this molecule by single crystal X-ray diffraction. To the best of our knowledge, there is no previous crystal structure report in the literature for the titled compound or any other with simultaneous substitution at C2 and C7.
ISSN: 00222860
Appears in Collections:Artículos Científicos

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