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).
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.
The Affiliated Hospital of Xi'an Medical University, 48 Fenghao West Road, 710077 Xi'an, People's Republic of China.
Li
L
Wang
The Affiliated Hospital of Xi'an Medical University, 48 Fenghao West Road, 710077 Xi'an, People's Republic of China.
Ya-jun
YJ
Li
The Affiliated Hospital of Xi'an Medical University, 48 Fenghao West Road, 710077 Xi'an, People's Republic of China.
Zheng-wei
ZW
Li
D000470:Alkaloids / Q000138:chemical synthesis* / Q000737:chemistry; D000972:Antineoplastic Agents, Phytogenic / Q000138:chemical synthesis* / Q000737:chemistry; D003460:Crystallization; D006860:Hydrogen Bonding; D008968:Molecular Conformation; D017239:Paclitaxel / Q000138:chemical synthesis* / Q000737:chemistry; D043823:Taxoids / Q000138:chemical synthesis* / Q000737:chemistry*; D014867:Water / Q000737:chemistry*; D014961:X-Ray Diffraction
C000599229:7,10-bis-O-(2,2,2-trichloroethoxycarbonyl)-10-deacetyl baccatin III-ethyl acetate; D000470:Alkaloids; D000972:Antineoplastic Agents, Phytogenic; D043823:Taxoids; D014867:Water; C073950:baccatin III; D017239:Paclitaxel
7,10-bis-O-(2,2,2-trichloroethoxycarbonyl)-10-deacetyl baccatin III; Taxol derivative; anticancer agents; biological activity; crystal structure; halogen bonding; natural products; pharmaceutical compounds; taxane diterpenoids