Towards validating new enzymatic routes for synthetic conversion: 7,10-bis-O-(2,2,2-trichloroethoxycarbonyl)-10-deacetyl baccatin III–ethyl acetate–water (1/1/1)

Abstract

The title compound, C(34)H(38)C(l6)O(14)·C(4)H(8)O(2)·H(2)O, prepared by the reaction of 10-deacetyl baccatin III with 2,2,2-trichloroethyl chloroformate in pyridine, crystallizes via strong intermolecular hydrogen bonds and noncovalent interactions between 7,10-bis-O-(2,2,2-trichloroethoxycarbonyl)-10-deacetyl baccatin III (7,10-di-Troc-DAB), water and ethyl acetate. A detailed comparison of the molecular conformation with those of related structures is presented.