Abstract: 2β, 16β-dipieridino-5α-androstan-3α, 17β-diol is an important intermediate in the synthesis of vecuronium bromide. In this study, the molecular structure of the compound was elucidated by MS, IR, 1D NMR and 2D NMR techniques (i.e., ¹H NMR, ¹³C NMR, DEPT, ¹H-¹H COSY, HSQC and HMBC). The stereochemistry conformation of the compound was confirmed by ROESY experiments. The ¹³C NMR chemical shifts of five other androstan intermediates were also assigned.

Key words: NMR, chemical shift assignment, 2D NMR, stereochemistry conformation, intermediate of vecuronium bromide