Conformational and Configurational Analysis of (2R,3S,5R)-2,5- Dimethyltetrahydropyran-3-Carboxylic Acid
Keywords:
NMR, sapogenins, ALTONA software, conformational analysis, configurational analysisAbstract
Abstract. The present work describes the conformational and configurational analysis of 2,5-dimethyltetrahydropyran-3-carboxylic acid using the ALTONA software developed by the group of Joseph-Nathan. The pyrancarboxylic acid was prepared from 23-ethylidenediosgenin acetate by a sequence of reactions that involve acid catalyzed cleavage of the side chain of the sapogenin.
Resumen. El presente trabajo describe el análisis conformacional y
configuracional del ácido 2,5 dimetiltetrahidropirano-3-carboxílico empleando el programa ALTONA desarrollado por el grupo de Joseph-Nathan. El ácido piranocarboxílico fue preparado a partir del acetato de 23-etilidendiosgenina, mediante una serie de reacciones que involucran el rompimiento de la cadena lateral de la sapogenina en medio ácido.
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24. Crystal data for : C29H44O3, M = 440.64, crystal system: orthorhombic, colorless plate, 0.70 × 0.44 x 0.16 mm3, space group P212121, unit cell dimensions a = 7.3789(6) b = 17.4492(12) c = 19.9518(17) Å, 6428 reflections collected on a Bruker P4 diffractometer at room temperature, with the Mo-Ka radiation (l = 0.71073 Å) in the range 2θ = 4.66 – 56.00 º, independent reflections (a): 5612 (Rint = 0.031), Parameters refined; 290: Final R indices [I > 2 s(I)], R1 = 0.0456, wR2 = 0.1015, Final R indices [all data] R1 = 0.0775, wR2 = 0.1185.
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