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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)
Authors:Li Wang  Ya‐jun Li  Zheng‐wei Li
Abstract:The title compound, C34H38Cl6O14·C4H8O2·H2O, 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.
Keywords:7  10‐bis‐O‐(2  2  2‐trichloroethoxycarbonyl)‐10‐deacetyl baccatin III  crystal structure  biological activity  taxane diterpenoids  anticancer agents  natural products  pharmaceutical compounds  halogen bonding  Taxol derivative
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