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Crystal structure of (+)-(1S,5S,6S,7S,10S,11S,16S)-16-hy­droxy-7-(meth­oxy­meth­oxy)-11,15,18,18-tetra­methyl-3,13-dioxo-2,4-dioxa­tetra­cyclo[12.3.1.0(1,5).0(6,11)]octa­dec-14-en-10-yl benzoate

In the fused tetra­cyclic system of the title compound, C(29)H(36)O(9), the five-membered dioxolane ring adopts a twist conformation; the two adjacent C atoms deviate alternately from the mean plane of the other three atoms by −0.252 (6) and 0.340 (6) Å. The cyclo­hexane, cyclo­hexene and central cy...

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Autores principales: Oishi, Takeshi, Fukaya, Keisuke, Sato, Takaaki, Chida, Noritaka
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8647750/
https://www.ncbi.nlm.nih.gov/pubmed/34925888
http://dx.doi.org/10.1107/S2056989021011518
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author Oishi, Takeshi
Fukaya, Keisuke
Sato, Takaaki
Chida, Noritaka
author_facet Oishi, Takeshi
Fukaya, Keisuke
Sato, Takaaki
Chida, Noritaka
author_sort Oishi, Takeshi
collection PubMed
description In the fused tetra­cyclic system of the title compound, C(29)H(36)O(9), the five-membered dioxolane ring adopts a twist conformation; the two adjacent C atoms deviate alternately from the mean plane of the other three atoms by −0.252 (6) and 0.340 (6) Å. The cyclo­hexane, cyclo­hexene and central cyclo­octane rings show chair, half-chair and boat-chair forms, respectively. There are three intra­molecular C—H⋯O inter­actions supporting the mol­ecular conformation, with one S(6) and two S(7) graph-set motifs. In the crystal, inter­molecular O—H⋯O hydrogen bonds connect the mol­ecules into a helical chain running along the c-axis direction, generating a C(7) graph-set motif. The chains are further linked by inter­molecular C—H⋯O inter­actions to construct a three-dimensional network. There is no valid C—H⋯π inter­action.
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spelling pubmed-86477502021-12-16 Crystal structure of (+)-(1S,5S,6S,7S,10S,11S,16S)-16-hy­droxy-7-(meth­oxy­meth­oxy)-11,15,18,18-tetra­methyl-3,13-dioxo-2,4-dioxa­tetra­cyclo[12.3.1.0(1,5).0(6,11)]octa­dec-14-en-10-yl benzoate Oishi, Takeshi Fukaya, Keisuke Sato, Takaaki Chida, Noritaka Acta Crystallogr E Crystallogr Commun Research Communications In the fused tetra­cyclic system of the title compound, C(29)H(36)O(9), the five-membered dioxolane ring adopts a twist conformation; the two adjacent C atoms deviate alternately from the mean plane of the other three atoms by −0.252 (6) and 0.340 (6) Å. The cyclo­hexane, cyclo­hexene and central cyclo­octane rings show chair, half-chair and boat-chair forms, respectively. There are three intra­molecular C—H⋯O inter­actions supporting the mol­ecular conformation, with one S(6) and two S(7) graph-set motifs. In the crystal, inter­molecular O—H⋯O hydrogen bonds connect the mol­ecules into a helical chain running along the c-axis direction, generating a C(7) graph-set motif. The chains are further linked by inter­molecular C—H⋯O inter­actions to construct a three-dimensional network. There is no valid C—H⋯π inter­action. International Union of Crystallography 2021-11-04 /pmc/articles/PMC8647750/ /pubmed/34925888 http://dx.doi.org/10.1107/S2056989021011518 Text en © Oishi et al. 2021 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) 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
Sato, Takaaki
Chida, Noritaka
Crystal structure of (+)-(1S,5S,6S,7S,10S,11S,16S)-16-hy­droxy-7-(meth­oxy­meth­oxy)-11,15,18,18-tetra­methyl-3,13-dioxo-2,4-dioxa­tetra­cyclo[12.3.1.0(1,5).0(6,11)]octa­dec-14-en-10-yl benzoate
title Crystal structure of (+)-(1S,5S,6S,7S,10S,11S,16S)-16-hy­droxy-7-(meth­oxy­meth­oxy)-11,15,18,18-tetra­methyl-3,13-dioxo-2,4-dioxa­tetra­cyclo[12.3.1.0(1,5).0(6,11)]octa­dec-14-en-10-yl benzoate
title_full Crystal structure of (+)-(1S,5S,6S,7S,10S,11S,16S)-16-hy­droxy-7-(meth­oxy­meth­oxy)-11,15,18,18-tetra­methyl-3,13-dioxo-2,4-dioxa­tetra­cyclo[12.3.1.0(1,5).0(6,11)]octa­dec-14-en-10-yl benzoate
title_fullStr Crystal structure of (+)-(1S,5S,6S,7S,10S,11S,16S)-16-hy­droxy-7-(meth­oxy­meth­oxy)-11,15,18,18-tetra­methyl-3,13-dioxo-2,4-dioxa­tetra­cyclo[12.3.1.0(1,5).0(6,11)]octa­dec-14-en-10-yl benzoate
title_full_unstemmed Crystal structure of (+)-(1S,5S,6S,7S,10S,11S,16S)-16-hy­droxy-7-(meth­oxy­meth­oxy)-11,15,18,18-tetra­methyl-3,13-dioxo-2,4-dioxa­tetra­cyclo[12.3.1.0(1,5).0(6,11)]octa­dec-14-en-10-yl benzoate
title_short Crystal structure of (+)-(1S,5S,6S,7S,10S,11S,16S)-16-hy­droxy-7-(meth­oxy­meth­oxy)-11,15,18,18-tetra­methyl-3,13-dioxo-2,4-dioxa­tetra­cyclo[12.3.1.0(1,5).0(6,11)]octa­dec-14-en-10-yl benzoate
title_sort crystal structure of (+)-(1s,5s,6s,7s,10s,11s,16s)-16-hy­droxy-7-(meth­oxy­meth­oxy)-11,15,18,18-tetra­methyl-3,13-dioxo-2,4-dioxa­tetra­cyclo[12.3.1.0(1,5).0(6,11)]octa­dec-14-en-10-yl benzoate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8647750/
https://www.ncbi.nlm.nih.gov/pubmed/34925888
http://dx.doi.org/10.1107/S2056989021011518
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