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Crystal structure of (±)-(1SR,5SR,6SR,7SR,10SR,11SR,13SR)-13-benzyloxy-7-methoxymethoxy-11,15,18,18-tetramethyl-3-oxo-2,4-dioxatetracyclo[12.3.1.0(1,5).0(6,11)]octadeca-14,16-dien-10-yl benzoate
In the title compound, C(36)H(42)O(8), the dioxolane ring adopts a twist conformation; the two adjacent C atoms deviate alternately from the mean plane of other atoms by −0.287 (5) and 0.174 (5) Å. The cyclohexane, cyclohexadiene and central cyclooctane rings show chair, half-chair and boat–chai...
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/PMC4420122/ https://www.ncbi.nlm.nih.gov/pubmed/25995863 http://dx.doi.org/10.1107/S2056989015007136 |
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author | Oishi, Takeshi Fukaya, Keisuke Yamaguchi, Yu Sugai, Tomoya Watanabe, Ami Sato, Takaaki Chida, Noritaka |
author_facet | Oishi, Takeshi Fukaya, Keisuke Yamaguchi, Yu Sugai, Tomoya Watanabe, Ami Sato, Takaaki Chida, Noritaka |
author_sort | Oishi, Takeshi |
collection | PubMed |
description | In the title compound, C(36)H(42)O(8), the dioxolane ring adopts a twist conformation; the two adjacent C atoms deviate alternately from the mean plane of other atoms by −0.287 (5) and 0.174 (5) Å. The cyclohexane, cyclohexadiene and central cyclooctane rings show chair, half-chair and boat–chair forms, respectively. As a result of the strained ring system, the tetrasubsituted olefin in the cyclohexadiene is skewed from an ideal planar structure. In the crystal, C—H⋯O hydrogen bonds connect the molecules into a sheet parallel to (100). The sheets are further linked by other weak C—H⋯O and C—H⋯π interactions, forming a three-dimensional network. |
format | Online Article Text |
id | pubmed-4420122 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-44201222015-05-20 Crystal structure of (±)-(1SR,5SR,6SR,7SR,10SR,11SR,13SR)-13-benzyloxy-7-methoxymethoxy-11,15,18,18-tetramethyl-3-oxo-2,4-dioxatetracyclo[12.3.1.0(1,5).0(6,11)]octadeca-14,16-dien-10-yl benzoate Oishi, Takeshi Fukaya, Keisuke Yamaguchi, Yu Sugai, Tomoya Watanabe, Ami Sato, Takaaki Chida, Noritaka Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(36)H(42)O(8), the dioxolane ring adopts a twist conformation; the two adjacent C atoms deviate alternately from the mean plane of other atoms by −0.287 (5) and 0.174 (5) Å. The cyclohexane, cyclohexadiene and central cyclooctane rings show chair, half-chair and boat–chair forms, respectively. As a result of the strained ring system, the tetrasubsituted olefin in the cyclohexadiene is skewed from an ideal planar structure. In the crystal, C—H⋯O hydrogen bonds connect the molecules into a sheet parallel to (100). The sheets are further linked by other weak C—H⋯O and C—H⋯π interactions, forming a three-dimensional network. International Union of Crystallography 2015-04-18 /pmc/articles/PMC4420122/ /pubmed/25995863 http://dx.doi.org/10.1107/S2056989015007136 Text en © Oishi 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 | Research Communications Oishi, Takeshi Fukaya, Keisuke Yamaguchi, Yu Sugai, Tomoya Watanabe, Ami Sato, Takaaki Chida, Noritaka Crystal structure of (±)-(1SR,5SR,6SR,7SR,10SR,11SR,13SR)-13-benzyloxy-7-methoxymethoxy-11,15,18,18-tetramethyl-3-oxo-2,4-dioxatetracyclo[12.3.1.0(1,5).0(6,11)]octadeca-14,16-dien-10-yl benzoate |
title | Crystal structure of (±)-(1SR,5SR,6SR,7SR,10SR,11SR,13SR)-13-benzyloxy-7-methoxymethoxy-11,15,18,18-tetramethyl-3-oxo-2,4-dioxatetracyclo[12.3.1.0(1,5).0(6,11)]octadeca-14,16-dien-10-yl benzoate |
title_full | Crystal structure of (±)-(1SR,5SR,6SR,7SR,10SR,11SR,13SR)-13-benzyloxy-7-methoxymethoxy-11,15,18,18-tetramethyl-3-oxo-2,4-dioxatetracyclo[12.3.1.0(1,5).0(6,11)]octadeca-14,16-dien-10-yl benzoate |
title_fullStr | Crystal structure of (±)-(1SR,5SR,6SR,7SR,10SR,11SR,13SR)-13-benzyloxy-7-methoxymethoxy-11,15,18,18-tetramethyl-3-oxo-2,4-dioxatetracyclo[12.3.1.0(1,5).0(6,11)]octadeca-14,16-dien-10-yl benzoate |
title_full_unstemmed | Crystal structure of (±)-(1SR,5SR,6SR,7SR,10SR,11SR,13SR)-13-benzyloxy-7-methoxymethoxy-11,15,18,18-tetramethyl-3-oxo-2,4-dioxatetracyclo[12.3.1.0(1,5).0(6,11)]octadeca-14,16-dien-10-yl benzoate |
title_short | Crystal structure of (±)-(1SR,5SR,6SR,7SR,10SR,11SR,13SR)-13-benzyloxy-7-methoxymethoxy-11,15,18,18-tetramethyl-3-oxo-2,4-dioxatetracyclo[12.3.1.0(1,5).0(6,11)]octadeca-14,16-dien-10-yl benzoate |
title_sort | crystal structure of (±)-(1sr,5sr,6sr,7sr,10sr,11sr,13sr)-13-benzyloxy-7-methoxymethoxy-11,15,18,18-tetramethyl-3-oxo-2,4-dioxatetracyclo[12.3.1.0(1,5).0(6,11)]octadeca-14,16-dien-10-yl benzoate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420122/ https://www.ncbi.nlm.nih.gov/pubmed/25995863 http://dx.doi.org/10.1107/S2056989015007136 |
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