Synthesis and Structural Characterization of a New 1,2,3-Triazole Derivative of Pentacyclic Triterpene

The new 30-substituted triazole derivative of 3,28-O,O′-diacetylbetulin was obtained in the copper(I) catalyzed azide-alkyne cycloaddition (CuAAC). title compound characterized by NMR, IR, HR-MS, and X-ray diffraction techniques. study showed that 1,2,3-triazole crystallizes orthorhombic space group P212121, Z = 4, unit cell parameters are as follows a 9.4860(10) Å, b 13.9440(2) c 30.2347(4) Å. molecular packing is stabilized intermolecular hydrogen interactions C-H…O. Hirshfeld surface analysis presence O…H with percentage 16.5% total area. MEP nucleophilic regions located near oxygen atoms acyl carbonyl groups betulin moiety sulfur atom linker. HOMO LUMO orbitals moiety. results indicated this more reactive electrophilic than molecules.