Spectral Characterizations and Individual Assignments of Molecules in Steroid Compounds

Abstract

This is part of an ongoing research project on how well current methodology can distinguish the stereochemistry of RDC’s of the stereoisomers of steroid compounds. Different stereoisomers have different pharmacological properties, thus having the correct assignment is vital for the development of new drugs. Determining the stereochemistry of candidate pharmaceutical molecules is no easy task. Many spectra are taken per molecule to determine its configuration correctly. The goal of this research is to develop a measure of merit to evaluate our structures for the correct assignment of their stereochemistry. This work focus on achieving this empirically through blind comparisons to control molecules. The work presented here develops the assignments and spectral characterizations of our control molecules.