Conformational analysis of a marine antineoplastic macrolide, bryostatin 10

1996 
Abstract Conformation of bryostatin 10, a marine antineoplastic macrolide, in CDCl 3 was analyzed by the spectroscopic and computational chemical methods. A combination of homonuclear two-dimensional NMR techniques at 600 MHz have enabled us to perform complete assignment of the 1 H signals of bryostatin 10 in CDCl 3 . 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-dynamics 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.
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