EMAIL THIS PAGE TO A FRIEND

Journal of molecular modeling

CHIH-DFT determination of the molecular structure and IR and UV spectra of solanidine.


PMID 16724197

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.

Related Materials

Product #

Image

Description

Molecular Formula

Add to Cart

13264
Solanidine, ≥97.0% (HPLC)
C27H43NO