CONFORMATIONAL-ANALYSIS OF A MARINE ANTINEOPLASTIC MACROLIDE, BRYOSTATIN-10

Conformation of bryostatin 10, a marine antineoplastic macrolide, in C DCl3 was analyzed by the spectroscopic and computational chemical meth ods. A combination of homonuclear two-dimensional NMR techniques at 60 0 MHz have enabled us to perform complete assignment of the H-1 signal s of bryostatin 10 in CDCl3. The conformation of its solution form was elucidated by a phase sensitive ROESY spectrum, temperature effect on OH proton and 3(J) vicinal coupling constants. Restrained molecular-d ynamics simulation led to a well defined conformation of the compound in solution, which was found to be homologous to that of bryostatin 2 observed in the solid state.