(1S,2S,3R,4S,5R,7S,8S,10R,13S)-2-Debenzoyl-10-deacetyl-2-(3-fluoro­benzo­yl)-7,10-bis­(2,2,2-trichloro­eth­oxy­carbon­yl)baccatin III ethyl acetate monosolvate monohydrate

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 mol­ecule has been determined. In the crystal, mol­ecules are linked by O—H⋯O and O—H⋯Cl hydrogen bonds.

Detalles Bibliográficos
Autores principales: Zhang, Chen, Xie, Cheng, Chang, Jun, Lu, Hong-Fu, Sun, Xun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051954/
https://www.ncbi.nlm.nih.gov/pubmed/21522314
http://dx.doi.org/10.1107/S1600536811002790
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author Zhang, Chen
Xie, Cheng
Chang, Jun
Lu, Hong-Fu
Sun, Xun
author_facet Zhang, Chen
Xie, Cheng
Chang, Jun
Lu, Hong-Fu
Sun, Xun
author_sort Zhang, Chen
collection PubMed
description 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 mol­ecule has been determined. In the crystal, mol­ecules are linked by O—H⋯O and O—H⋯Cl hydrogen bonds.
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spelling pubmed-30519542011-04-26 (1S,2S,3R,4S,5R,7S,8S,10R,13S)-2-Debenzoyl-10-deacetyl-2-(3-fluoro­benzo­yl)-7,10-bis­(2,2,2-trichloro­eth­oxy­carbon­yl)baccatin III ethyl acetate monosolvate monohydrate Zhang, Chen Xie, Cheng Chang, Jun Lu, Hong-Fu Sun, Xun Acta Crystallogr Sect E Struct Rep Online Organic Papers 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 mol­ecule has been determined. In the crystal, mol­ecules are linked by O—H⋯O and O—H⋯Cl hydrogen bonds. International Union of Crystallography 2011-02-02 /pmc/articles/PMC3051954/ /pubmed/21522314 http://dx.doi.org/10.1107/S1600536811002790 Text en © Zhang et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Zhang, Chen
Xie, Cheng
Chang, Jun
Lu, Hong-Fu
Sun, Xun
(1S,2S,3R,4S,5R,7S,8S,10R,13S)-2-Debenzoyl-10-deacetyl-2-(3-fluoro­benzo­yl)-7,10-bis­(2,2,2-trichloro­eth­oxy­carbon­yl)baccatin III ethyl acetate monosolvate monohydrate
title (1S,2S,3R,4S,5R,7S,8S,10R,13S)-2-Debenzoyl-10-deacetyl-2-(3-fluoro­benzo­yl)-7,10-bis­(2,2,2-trichloro­eth­oxy­carbon­yl)baccatin III ethyl acetate monosolvate monohydrate
title_full (1S,2S,3R,4S,5R,7S,8S,10R,13S)-2-Debenzoyl-10-deacetyl-2-(3-fluoro­benzo­yl)-7,10-bis­(2,2,2-trichloro­eth­oxy­carbon­yl)baccatin III ethyl acetate monosolvate monohydrate
title_fullStr (1S,2S,3R,4S,5R,7S,8S,10R,13S)-2-Debenzoyl-10-deacetyl-2-(3-fluoro­benzo­yl)-7,10-bis­(2,2,2-trichloro­eth­oxy­carbon­yl)baccatin III ethyl acetate monosolvate monohydrate
title_full_unstemmed (1S,2S,3R,4S,5R,7S,8S,10R,13S)-2-Debenzoyl-10-deacetyl-2-(3-fluoro­benzo­yl)-7,10-bis­(2,2,2-trichloro­eth­oxy­carbon­yl)baccatin III ethyl acetate monosolvate monohydrate
title_short (1S,2S,3R,4S,5R,7S,8S,10R,13S)-2-Debenzoyl-10-deacetyl-2-(3-fluoro­benzo­yl)-7,10-bis­(2,2,2-trichloro­eth­oxy­carbon­yl)baccatin III ethyl acetate monosolvate monohydrate
title_sort (1s,2s,3r,4s,5r,7s,8s,10r,13s)-2-debenzoyl-10-deacetyl-2-(3-fluoro­benzo­yl)-7,10-bis­(2,2,2-trichloro­eth­oxy­carbon­yl)baccatin iii ethyl acetate monosolvate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051954/
https://www.ncbi.nlm.nih.gov/pubmed/21522314
http://dx.doi.org/10.1107/S1600536811002790
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