2-[(8-Meth­oxy­carbonyl-4b,8-dimethyl-4b,5,6,7,8,8a,9,10-octa­hydro­phenan­thren-3-yl)amino]-3,5-dinitro­benzoic acid ethyl acetate monosolvate

The title compound, C(25)H(27)N(3)O(8)·C(4)H(8)O(2), has a diterpene skeleton in which the fused cyclo­hexane rings exhibit chair and half-chair conformations. An intra­molecular C—H⋯O hydrogen bond occurs. In the crystal, N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds are observed.

Detalles Bibliográficos
Autores principales: Tong, Bihai, Zhang, Ye
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435697/
https://www.ncbi.nlm.nih.gov/pubmed/22969568
http://dx.doi.org/10.1107/S1600536812032278
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author Tong, Bihai
Zhang, Ye
author_facet Tong, Bihai
Zhang, Ye
author_sort Tong, Bihai
collection PubMed
description The title compound, C(25)H(27)N(3)O(8)·C(4)H(8)O(2), has a diterpene skeleton in which the fused cyclo­hexane rings exhibit chair and half-chair conformations. An intra­molecular C—H⋯O hydrogen bond occurs. In the crystal, N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds are observed.
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spelling pubmed-34356972012-09-11 2-[(8-Meth­oxy­carbonyl-4b,8-dimethyl-4b,5,6,7,8,8a,9,10-octa­hydro­phenan­thren-3-yl)amino]-3,5-dinitro­benzoic acid ethyl acetate monosolvate Tong, Bihai Zhang, Ye Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(25)H(27)N(3)O(8)·C(4)H(8)O(2), has a diterpene skeleton in which the fused cyclo­hexane rings exhibit chair and half-chair conformations. An intra­molecular C—H⋯O hydrogen bond occurs. In the crystal, N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds are observed. International Union of Crystallography 2012-08-11 /pmc/articles/PMC3435697/ /pubmed/22969568 http://dx.doi.org/10.1107/S1600536812032278 Text en © Tong and Zhang 2012 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
Tong, Bihai
Zhang, Ye
2-[(8-Meth­oxy­carbonyl-4b,8-dimethyl-4b,5,6,7,8,8a,9,10-octa­hydro­phenan­thren-3-yl)amino]-3,5-dinitro­benzoic acid ethyl acetate monosolvate
title 2-[(8-Meth­oxy­carbonyl-4b,8-dimethyl-4b,5,6,7,8,8a,9,10-octa­hydro­phenan­thren-3-yl)amino]-3,5-dinitro­benzoic acid ethyl acetate monosolvate
title_full 2-[(8-Meth­oxy­carbonyl-4b,8-dimethyl-4b,5,6,7,8,8a,9,10-octa­hydro­phenan­thren-3-yl)amino]-3,5-dinitro­benzoic acid ethyl acetate monosolvate
title_fullStr 2-[(8-Meth­oxy­carbonyl-4b,8-dimethyl-4b,5,6,7,8,8a,9,10-octa­hydro­phenan­thren-3-yl)amino]-3,5-dinitro­benzoic acid ethyl acetate monosolvate
title_full_unstemmed 2-[(8-Meth­oxy­carbonyl-4b,8-dimethyl-4b,5,6,7,8,8a,9,10-octa­hydro­phenan­thren-3-yl)amino]-3,5-dinitro­benzoic acid ethyl acetate monosolvate
title_short 2-[(8-Meth­oxy­carbonyl-4b,8-dimethyl-4b,5,6,7,8,8a,9,10-octa­hydro­phenan­thren-3-yl)amino]-3,5-dinitro­benzoic acid ethyl acetate monosolvate
title_sort 2-[(8-meth­oxy­carbonyl-4b,8-dimethyl-4b,5,6,7,8,8a,9,10-octa­hydro­phenan­thren-3-yl)amino]-3,5-dinitro­benzoic acid ethyl acetate monosolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435697/
https://www.ncbi.nlm.nih.gov/pubmed/22969568
http://dx.doi.org/10.1107/S1600536812032278
work_keys_str_mv AT tongbihai 28methoxycarbonyl4b8dimethyl4b56788a910octahydrophenanthren3ylamino35dinitrobenzoicacidethylacetatemonosolvate
AT zhangye 28methoxycarbonyl4b8dimethyl4b56788a910octahydrophenanthren3ylamino35dinitrobenzoicacidethylacetatemonosolvate

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