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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)
Acta Crystallographica Section C ( IF 0.7 ) Pub Date : 2015-02-13 , DOI: 10.1107/s2053229614027399
Li Wang , Ya-jun Li , Zheng-wei Li

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.

中文翻译:

为了验证合成转化的新酶途径:7,10-双-O-(2,2,2-三氯乙氧羰基)-10-脱乙酰浆果赤霉素III-乙酸乙酯-水(1/1/1)

由10-去乙酰浆果赤霉素III与2,2,2-三氯乙基氯甲酸酯在吡啶中反应制得的标题化合物C 34 H 38 Cl 6 O 14 ·C 4 H 8 O 2 ·H 2 O通过强分子间结晶7,10-双-O-(2,2,2-三氯乙氧基羰基)-10-去乙酰基浆果赤霉素III(7,10-di-Troc-DAB),水和乙酸乙酯之间的氢键和非共价相互作用。给出了分子构象与相关结构的分子构象的详细比较。
更新日期:2015-02-13
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