Crystal and mol­ecular structure of jatrophane diterpenoid (2R,3R,4S,5R,7S,8S,9S,13S,14S,15R)-2,3,8,9-tetra­acet­oxy-5,14-bis­(benzo­yloxy)-15-hydroxy-7-(iso­butano­yloxy)jatropha-6(17),11(E)-diene

The structure of the jatrophane diterpenoid (ES2), C(46)H(56)O(15), has ortho­rhom­bic (P2(1)2(1)2(1)) symmetry. The absolute configuration in the crystal has been determined as 2R,3R,4S,5R,7S,8S,9S,13S,14S,15R [the Flack parameter is −0.06 (11)]. The mol­ecular structure features intra­molecular O—...

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Autores principales: Yang, Hequn, Zhao, Jiangyu, Talipov, Samat, Izotova, Lidiya, Aisa, Haji Akber, Ibragimov, Bakhtiyar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6895953/
https://www.ncbi.nlm.nih.gov/pubmed/31871751
http://dx.doi.org/10.1107/S205698901901541X
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author Yang, Hequn
Zhao, Jiangyu
Talipov, Samat
Izotova, Lidiya
Aisa, Haji Akber
Ibragimov, Bakhtiyar
author_facet Yang, Hequn
Zhao, Jiangyu
Talipov, Samat
Izotova, Lidiya
Aisa, Haji Akber
Ibragimov, Bakhtiyar
author_sort Yang, Hequn
collection PubMed
description The structure of the jatrophane diterpenoid (ES2), C(46)H(56)O(15), has ortho­rhom­bic (P2(1)2(1)2(1)) symmetry. The absolute configuration in the crystal has been determined as 2R,3R,4S,5R,7S,8S,9S,13S,14S,15R [the Flack parameter is −0.06 (11)]. The mol­ecular structure features intra­molecular O—H⋯O and C—H⋯O hydrogen bonding. In the crystal, C—H⋯O hydrogen bonds link the mol­ecules into supra­molecular columns parallel to the a axis. One of the acet­oxy substituents is disordered over two orientations in a 0.826 (8):0.174 (8) ratio.
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spelling pubmed-68959532019-12-23 Crystal and mol­ecular structure of jatrophane diterpenoid (2R,3R,4S,5R,7S,8S,9S,13S,14S,15R)-2,3,8,9-tetra­acet­oxy-5,14-bis­(benzo­yloxy)-15-hydroxy-7-(iso­butano­yloxy)jatropha-6(17),11(E)-diene Yang, Hequn Zhao, Jiangyu Talipov, Samat Izotova, Lidiya Aisa, Haji Akber Ibragimov, Bakhtiyar Acta Crystallogr E Crystallogr Commun Research Communications The structure of the jatrophane diterpenoid (ES2), C(46)H(56)O(15), has ortho­rhom­bic (P2(1)2(1)2(1)) symmetry. The absolute configuration in the crystal has been determined as 2R,3R,4S,5R,7S,8S,9S,13S,14S,15R [the Flack parameter is −0.06 (11)]. The mol­ecular structure features intra­molecular O—H⋯O and C—H⋯O hydrogen bonding. In the crystal, C—H⋯O hydrogen bonds link the mol­ecules into supra­molecular columns parallel to the a axis. One of the acet­oxy substituents is disordered over two orientations in a 0.826 (8):0.174 (8) ratio. International Union of Crystallography 2019-11-19 /pmc/articles/PMC6895953/ /pubmed/31871751 http://dx.doi.org/10.1107/S205698901901541X Text en © Yang et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Yang, Hequn
Zhao, Jiangyu
Talipov, Samat
Izotova, Lidiya
Aisa, Haji Akber
Ibragimov, Bakhtiyar
Crystal and mol­ecular structure of jatrophane diterpenoid (2R,3R,4S,5R,7S,8S,9S,13S,14S,15R)-2,3,8,9-tetra­acet­oxy-5,14-bis­(benzo­yloxy)-15-hydroxy-7-(iso­butano­yloxy)jatropha-6(17),11(E)-diene
title Crystal and mol­ecular structure of jatrophane diterpenoid (2R,3R,4S,5R,7S,8S,9S,13S,14S,15R)-2,3,8,9-tetra­acet­oxy-5,14-bis­(benzo­yloxy)-15-hydroxy-7-(iso­butano­yloxy)jatropha-6(17),11(E)-diene
title_full Crystal and mol­ecular structure of jatrophane diterpenoid (2R,3R,4S,5R,7S,8S,9S,13S,14S,15R)-2,3,8,9-tetra­acet­oxy-5,14-bis­(benzo­yloxy)-15-hydroxy-7-(iso­butano­yloxy)jatropha-6(17),11(E)-diene
title_fullStr Crystal and mol­ecular structure of jatrophane diterpenoid (2R,3R,4S,5R,7S,8S,9S,13S,14S,15R)-2,3,8,9-tetra­acet­oxy-5,14-bis­(benzo­yloxy)-15-hydroxy-7-(iso­butano­yloxy)jatropha-6(17),11(E)-diene
title_full_unstemmed Crystal and mol­ecular structure of jatrophane diterpenoid (2R,3R,4S,5R,7S,8S,9S,13S,14S,15R)-2,3,8,9-tetra­acet­oxy-5,14-bis­(benzo­yloxy)-15-hydroxy-7-(iso­butano­yloxy)jatropha-6(17),11(E)-diene
title_short Crystal and mol­ecular structure of jatrophane diterpenoid (2R,3R,4S,5R,7S,8S,9S,13S,14S,15R)-2,3,8,9-tetra­acet­oxy-5,14-bis­(benzo­yloxy)-15-hydroxy-7-(iso­butano­yloxy)jatropha-6(17),11(E)-diene
title_sort crystal and mol­ecular structure of jatrophane diterpenoid (2r,3r,4s,5r,7s,8s,9s,13s,14s,15r)-2,3,8,9-tetra­acet­oxy-5,14-bis­(benzo­yloxy)-15-hydroxy-7-(iso­butano­yloxy)jatropha-6(17),11(e)-diene
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6895953/
https://www.ncbi.nlm.nih.gov/pubmed/31871751
http://dx.doi.org/10.1107/S205698901901541X
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