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(1S,2S,3R,4S,5R,7S,8S,10R,13S)-2-Debenzoyl-10-deacetyl-2-(3-fluoro-benzo-yl)-7,10-bis-(2,2,2-trichloro-eth-oxy-carbon-yl)baccatin III ethyl acetate monosolvate monohydrate.

ABSTRACT: In the title compound, C(35)H(37)Cl(6)FO(14)·C(4)H(8)O(2)·H(2)O, the absolute configurations (1S,2S,3R,4S,5R,7S,8S,10R,13S) for the nine chiral centres of the mol-ecule has been determined. In the crystal, mol-ecules are linked by O-H⋯O and O-H⋯Cl hydrogen bonds.

SUBMITTER: Zhang C

PROVIDER: S-EPMC3051954 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

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(1S,2S,3R,4S,5R,7S,8S,10R,13S)-2-Debenzoyl-10-deacetyl-2-(3-fluoro-benzo-yl)-7,10-bis-(2,2,2-trichloro-eth-oxy-carbon-yl)baccatin III ethyl acetate monosolvate monohydrate.

Zhang Chen C Xie Cheng C Chang Jun J Lu Hong-Fu HF Sun Xun X

Acta crystallographica. Section E, Structure reports online 20110202 Pt 3

In the title compound, C(35)H(37)Cl(6)FO(14)·C(4)H(8)O(2)·H(2)O, the absolute configurations (1S,2S,3R,4S,5R,7S,8S,10R,13S) for the nine chiral centres of the mol-ecule has been determined. In the crystal, mol-ecules are linked by O-H⋯O and O-H⋯Cl hydrogen bonds. ...[more]

PMID: 21522314

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