Narcissistic aggregation of steroid compounds in diluted solution elucidated by CSI-MS, PFG NMR and X-ray analysis

Large-scale aggregated chain structures of progesterone, estrone, cortisone, hydrocortisone and cholic acid were observed in diluted solution by means of cold-spray ionization mass spectrometry (CSI-MS) and pulsed field gradient (PFG) NMR. The crystal structures were determined by X-ray crystallography, and the relationship between the crystal and solution structures is discussed. It is suggested that the intermolecular hydrogen bondings observed in the crystal might be partly retained in diluted solution.