Synthesis, spectroscopic characterization, solvatochromic properties and DFT quantum chemical calculations of 3β-acetoxy-17β-(1-acetyl-5-(3-pyridinyl)-3-pyrazolinyl) androat-5-ene

In this study, 3β-acetoxy-17β-(1-acetyl-5-(3-pyridinyl)-3-pyrazolinyl) androat-5-ene (AAPP) was synthesized from the reaction of 21(E)-3β–acetoxy–21-(3-pyridinylidene)pregn-5-en-20-one with hydrazine hydrate in acetic acid. The structure of the compound was confirmed by UV–vis, FT-IR, 1H NMR and 13C NMR spectroscopic techniques. Optimized geometries and experimental results were interpreted by using DFT (B3LYP/6-311 + G (d,p) method). The NMR...