(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

(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, C35H37Cl6FO14·C4H8O2·H2O, 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 bon...

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Main Authors: Chen Zhang, Cheng Xie, Jun Chang, Hong-Fu Lu, Xun Sun
Format: Article
Language:English
Published: International Union of Crystallography 2011-03-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536811002790
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spelling doaj-e8f71a1642b7404eb8d436dc152b9e152020-11-24T21:32:19ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-03-01673o547o54710.1107/S1600536811002790(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 monohydrateChen ZhangCheng XieJun ChangHong-Fu LuXun SunIn the title compound, C35H37Cl6FO14·C4H8O2·H2O, 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. http://scripts.iucr.org/cgi-bin/paper?S1600536811002790
collection DOAJ
language English
format Article
sources DOAJ
author Chen Zhang
Cheng Xie
Jun Chang
Hong-Fu Lu
Xun Sun
spellingShingle Chen Zhang
Cheng Xie
Jun Chang
Hong-Fu Lu
Xun Sun
(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
Acta Crystallographica Section E
author_facet Chen Zhang
Cheng Xie
Jun Chang
Hong-Fu Lu
Xun Sun
author_sort Chen Zhang
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_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_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_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
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2011-03-01
description In the title compound, C35H37Cl6FO14·C4H8O2·H2O, 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.
url http://scripts.iucr.org/cgi-bin/paper?S1600536811002790
work_keys_str_mv AT chenzhang 1s2s3r4s5r7s8s10r13s2debenzoyl10deacetyl23fluorobenzoyl710bis222trichloroethoxycarbonylbaccatiniiiethylacetatemonosolvatemonohydrate
AT chengxie 1s2s3r4s5r7s8s10r13s2debenzoyl10deacetyl23fluorobenzoyl710bis222trichloroethoxycarbonylbaccatiniiiethylacetatemonosolvatemonohydrate
AT junchang 1s2s3r4s5r7s8s10r13s2debenzoyl10deacetyl23fluorobenzoyl710bis222trichloroethoxycarbonylbaccatiniiiethylacetatemonosolvatemonohydrate
AT hongfulu 1s2s3r4s5r7s8s10r13s2debenzoyl10deacetyl23fluorobenzoyl710bis222trichloroethoxycarbonylbaccatiniiiethylacetatemonosolvatemonohydrate
AT xunsun 1s2s3r4s5r7s8s10r13s2debenzoyl10deacetyl23fluorobenzoyl710bis222trichloroethoxycarbonylbaccatiniiiethylacetatemonosolvatemonohydrate
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