Abstract
The synthesis and characterization of steroidal hemisuccinate esters derived from pregnanolone, pregnenolone, 3β,19-dihydroxy-androst-5-en-17-one and cholic acid are presented. A combined theoretical-experimental analysis of the conformation and self-assembly of the crystalline samples is carried out with support from single crystal X-ray diffraction experiments and DFT computations, featuring Cremer-Pople ring puckering and Quantum Theory of Atoms-in-Molecules (QTAIM) analyses, unveiling a proclivity of these molecules towards the formation of dimeric and trimeric supramolecular assemblies bound by means of classical and non-classical hydrogen bonding interactions, whose directionality and energetics are discussed in detail within reduced systems of the crystallographic structures.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
