Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Oishi, Takeshi, Fukaya, Keisuke, Yamaguchi, Yu, Sugai, Tomoya, Watanabe, Ami, Sato, Takaaki, Chida, Noritaka
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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
_version_ 1782369675114446848
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
work_keys_str_mv AT oishitakeshi crystalstructureof1sr5sr6sr7sr10sr11sr13sr13benzyloxy7methoxymethoxy11151818tetramethyl3oxo24dioxatetracyclo12310150611octadeca1416dien10ylbenzoate
AT fukayakeisuke crystalstructureof1sr5sr6sr7sr10sr11sr13sr13benzyloxy7methoxymethoxy11151818tetramethyl3oxo24dioxatetracyclo12310150611octadeca1416dien10ylbenzoate
AT yamaguchiyu crystalstructureof1sr5sr6sr7sr10sr11sr13sr13benzyloxy7methoxymethoxy11151818tetramethyl3oxo24dioxatetracyclo12310150611octadeca1416dien10ylbenzoate
AT sugaitomoya crystalstructureof1sr5sr6sr7sr10sr11sr13sr13benzyloxy7methoxymethoxy11151818tetramethyl3oxo24dioxatetracyclo12310150611octadeca1416dien10ylbenzoate
AT watanabeami crystalstructureof1sr5sr6sr7sr10sr11sr13sr13benzyloxy7methoxymethoxy11151818tetramethyl3oxo24dioxatetracyclo12310150611octadeca1416dien10ylbenzoate
AT satotakaaki crystalstructureof1sr5sr6sr7sr10sr11sr13sr13benzyloxy7methoxymethoxy11151818tetramethyl3oxo24dioxatetracyclo12310150611octadeca1416dien10ylbenzoate
AT chidanoritaka crystalstructureof1sr5sr6sr7sr10sr11sr13sr13benzyloxy7methoxymethoxy11151818tetramethyl3oxo24dioxatetracyclo12310150611octadeca1416dien10ylbenzoate