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Crystal structure of obscurine: a natural product isolated from the stem bark of B. obscura
The title compound, C(24)H(31)NO(3) {systematic name: (E)-3-[(1R*,2S*,4aS*,8aR*)-2-(benzo[d][1,3]dioxol-5-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-N-isobutylacrylamide}, is a natural product isolated from the stem bark of B. obscura. It is composed of an octahydronaphthalene ring syste...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518939/ https://www.ncbi.nlm.nih.gov/pubmed/26279906 http://dx.doi.org/10.1107/S2056989015010567 |
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author | Lenta, Bruno N. Chouna, Rodolphe J. Neumann, Beate Stammler, Hans-Georg Sewald, Norbert |
author_facet | Lenta, Bruno N. Chouna, Rodolphe J. Neumann, Beate Stammler, Hans-Georg Sewald, Norbert |
author_sort | Lenta, Bruno N. |
collection | PubMed |
description | The title compound, C(24)H(31)NO(3) {systematic name: (E)-3-[(1R*,2S*,4aS*,8aR*)-2-(benzo[d][1,3]dioxol-5-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-N-isobutylacrylamide}, is a natural product isolated from the stem bark of B. obscura. It is composed of an octahydronaphthalene ring system substituted with an essentially planar benzodioxole ring system [r.m.s. deviation = 0.012 Å] and an extended isobutylacrylamide group. In the crystal, molecules are linked by N—H⋯O hydrogen bonds, forming chains propagating along [100]. The chains are linked by pairs of C—H⋯O hydrogen bonds, involving inversion-related benzodioxole ring systems, forming ribbons lying parallel to (010). There are also C—H⋯π interactions present within the ribbons. |
format | Online Article Text |
id | pubmed-4518939 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45189392015-08-14 Crystal structure of obscurine: a natural product isolated from the stem bark of B. obscura Lenta, Bruno N. Chouna, Rodolphe J. Neumann, Beate Stammler, Hans-Georg Sewald, Norbert Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(24)H(31)NO(3) {systematic name: (E)-3-[(1R*,2S*,4aS*,8aR*)-2-(benzo[d][1,3]dioxol-5-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-N-isobutylacrylamide}, is a natural product isolated from the stem bark of B. obscura. It is composed of an octahydronaphthalene ring system substituted with an essentially planar benzodioxole ring system [r.m.s. deviation = 0.012 Å] and an extended isobutylacrylamide group. In the crystal, molecules are linked by N—H⋯O hydrogen bonds, forming chains propagating along [100]. The chains are linked by pairs of C—H⋯O hydrogen bonds, involving inversion-related benzodioxole ring systems, forming ribbons lying parallel to (010). There are also C—H⋯π interactions present within the ribbons. International Union of Crystallography 2015-06-10 /pmc/articles/PMC4518939/ /pubmed/26279906 http://dx.doi.org/10.1107/S2056989015010567 Text en © Lenta et al. 2015 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 | Data Reports Lenta, Bruno N. Chouna, Rodolphe J. Neumann, Beate Stammler, Hans-Georg Sewald, Norbert Crystal structure of obscurine: a natural product isolated from the stem bark of B. obscura |
title | Crystal structure of obscurine: a natural product isolated from the stem bark of B. obscura
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title_full | Crystal structure of obscurine: a natural product isolated from the stem bark of B. obscura
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title_fullStr | Crystal structure of obscurine: a natural product isolated from the stem bark of B. obscura
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title_full_unstemmed | Crystal structure of obscurine: a natural product isolated from the stem bark of B. obscura
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title_short | Crystal structure of obscurine: a natural product isolated from the stem bark of B. obscura
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title_sort | crystal structure of obscurine: a natural product isolated from the stem bark of b. obscura |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518939/ https://www.ncbi.nlm.nih.gov/pubmed/26279906 http://dx.doi.org/10.1107/S2056989015010567 |
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