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Updated: Aug 8, 2026

Syntheses, Crystallization, and Spectroscopic Characterization of 3,5-Lutidine N-Oxide Dehydrate
Published on: April 24, 2018
CHIH-DFT determination of the molecular structure and IR and UV spectra of solanidine
1Grupo NANOCOSMO, Química Computacional de Moléculas y Nanomateriales and PRINATEC, Programa Institucional de Nanotecnología, CIMAV, S.C., Miguel de Cervantes 120, Complejo Industrial Chihuahua, Chihuahua, Chih, 31109, México. daniel.glossman@cimav.edu.mx
Abstract:
Solanidine is the steroidal aglycon of some potato glycoalkaloids and a very important precursor for the synthesis of hormones and some pharmacologically active compounds. In this work, we make use of a new chemistry model within Density Functional Theory, called CHIH-DFT, to calculate the molecular structure of solanidine, as well to predict its infrared and ultraviolet spectra. The calculated values are compared with the experimental data available for this molecule as a means of validation of our proposed chemistry model.
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