14-Benzoyl­mesaconine hydro­chloride methanol monosolvate

The title compound, C(31)H(44)N(3)O(10) (+)·Cl(−)·CH(4)O, is the methanol solvate of 8-benzo­yloxy-,9,11,11a-tetra­hydroxy-6,10,13-trimeth­oxy-3-meth­oxy­methyl-1-methyl­tetra­deca­hydro-1H-3,6a,12-(epiethane-1,1,2-tri­yl)-7,9-methanona­phtho[2,3-b]azocin-1-ium chloride, the amine-protonated hydro­c...

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Detalles Bibliográficos
Autores principales: Mu, Yan, Li, Lin, Wei, Hai-Liu, Kuang, Tong-Chun, Hu, Song-Qing
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099831/
https://www.ncbi.nlm.nih.gov/pubmed/21754235
http://dx.doi.org/10.1107/S1600536811010300
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author Mu, Yan
Li, Lin
Wei, Hai-Liu
Kuang, Tong-Chun
Hu, Song-Qing
author_facet Mu, Yan
Li, Lin
Wei, Hai-Liu
Kuang, Tong-Chun
Hu, Song-Qing
author_sort Mu, Yan
collection PubMed
description The title compound, C(31)H(44)N(3)O(10) (+)·Cl(−)·CH(4)O, is the methanol solvate of 8-benzo­yloxy-,9,11,11a-tetra­hydroxy-6,10,13-trimeth­oxy-3-meth­oxy­methyl-1-methyl­tetra­deca­hydro-1H-3,6a,12-(epiethane-1,1,2-tri­yl)-7,9-methanona­phtho[2,3-b]azocin-1-ium chloride, the amine-protonated hydro­chloride of 14-benzoyl­mesaconine hydro­chloride. The cation has an aconitine carbon skeleton with four six-membered rings of which three display chair conformations and one a boat conformation, and two five-membered rings with envelope conformations. In the crystal, the components are connected into an infinite chain by inter- and intra­molecular O—H⋯O, N—H⋯O and O—H⋯Cl hydrogen bonds.
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spelling pubmed-30998312011-07-13 14-Benzoyl­mesaconine hydro­chloride methanol monosolvate Mu, Yan Li, Lin Wei, Hai-Liu Kuang, Tong-Chun Hu, Song-Qing Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(31)H(44)N(3)O(10) (+)·Cl(−)·CH(4)O, is the methanol solvate of 8-benzo­yloxy-,9,11,11a-tetra­hydroxy-6,10,13-trimeth­oxy-3-meth­oxy­methyl-1-methyl­tetra­deca­hydro-1H-3,6a,12-(epiethane-1,1,2-tri­yl)-7,9-methanona­phtho[2,3-b]azocin-1-ium chloride, the amine-protonated hydro­chloride of 14-benzoyl­mesaconine hydro­chloride. The cation has an aconitine carbon skeleton with four six-membered rings of which three display chair conformations and one a boat conformation, and two five-membered rings with envelope conformations. In the crystal, the components are connected into an infinite chain by inter- and intra­molecular O—H⋯O, N—H⋯O and O—H⋯Cl hydrogen bonds. International Union of Crystallography 2011-03-26 /pmc/articles/PMC3099831/ /pubmed/21754235 http://dx.doi.org/10.1107/S1600536811010300 Text en © Mu 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
Mu, Yan
Li, Lin
Wei, Hai-Liu
Kuang, Tong-Chun
Hu, Song-Qing
14-Benzoyl­mesaconine hydro­chloride methanol monosolvate
title 14-Benzoyl­mesaconine hydro­chloride methanol monosolvate
title_full 14-Benzoyl­mesaconine hydro­chloride methanol monosolvate
title_fullStr 14-Benzoyl­mesaconine hydro­chloride methanol monosolvate
title_full_unstemmed 14-Benzoyl­mesaconine hydro­chloride methanol monosolvate
title_short 14-Benzoyl­mesaconine hydro­chloride methanol monosolvate
title_sort 14-benzoyl­mesaconine hydro­chloride methanol monosolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099831/
https://www.ncbi.nlm.nih.gov/pubmed/21754235
http://dx.doi.org/10.1107/S1600536811010300
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AT lilin 14benzoylmesaconinehydrochloridemethanolmonosolvate
AT weihailiu 14benzoylmesaconinehydrochloridemethanolmonosolvate
AT kuangtongchun 14benzoylmesaconinehydrochloridemethanolmonosolvate
AT husongqing 14benzoylmesaconinehydrochloridemethanolmonosolvate

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