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The title compound, C(26)H(32)O(11), is composed of an α,β-unsaturated cyclo­hexa­none ring (A), two cyclo­hexane rings (B and C), a six-membered lactone ring (D) and tetra­hydro­furan ring (E). Ring A exists in a half-chair conformation with a C atom displaced by 0.679 (2) Å from the mean plane thr...

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Autores principales: Hu, Shu-Zhi, Jin, Lu, Yu, Tong, Tian, Hai-Yan, Jiang, Ren-Wang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379203/
https://www.ncbi.nlm.nih.gov/pubmed/22719401
http://dx.doi.org/10.1107/S1600536812018582
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author Hu, Shu-Zhi
Jin, Lu
Yu, Tong
Tian, Hai-Yan
Jiang, Ren-Wang
author_facet Hu, Shu-Zhi
Jin, Lu
Yu, Tong
Tian, Hai-Yan
Jiang, Ren-Wang
author_sort Hu, Shu-Zhi
collection PubMed
description The title compound, C(26)H(32)O(11), is composed of an α,β-unsaturated cyclo­hexa­none ring (A), two cyclo­hexane rings (B and C), a six-membered lactone ring (D) and tetra­hydro­furan ring (E). Ring A exists in a half-chair conformation with a C atom displaced by 0.679 (2) Å from the mean plane through the remaining five atoms. Ring B exists in a normal chair conformation. Both rings C and D exist in a twisted-chair conformation due to the O-atom bridge and the carbonyl group in rings C and D, respectively. Ring E shows an envelope conformation with a C atom displaced by 0.761 (1) Å from the mean plane through the remaining five atoms. The ring junctions are A/B trans, B/C trans, C/D cis and D/E cis. An intra­molecular O—H⋯O hydrogen bond occurs. In the crystal, O—H⋯O hydrogen bonds involving the hy­droxy, lactone and ester groups and C—H⋯O inter­actions are observed.
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spelling pubmed-33792032012-06-20 Brusatol Hu, Shu-Zhi Jin, Lu Yu, Tong Tian, Hai-Yan Jiang, Ren-Wang Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(26)H(32)O(11), is composed of an α,β-unsaturated cyclo­hexa­none ring (A), two cyclo­hexane rings (B and C), a six-membered lactone ring (D) and tetra­hydro­furan ring (E). Ring A exists in a half-chair conformation with a C atom displaced by 0.679 (2) Å from the mean plane through the remaining five atoms. Ring B exists in a normal chair conformation. Both rings C and D exist in a twisted-chair conformation due to the O-atom bridge and the carbonyl group in rings C and D, respectively. Ring E shows an envelope conformation with a C atom displaced by 0.761 (1) Å from the mean plane through the remaining five atoms. The ring junctions are A/B trans, B/C trans, C/D cis and D/E cis. An intra­molecular O—H⋯O hydrogen bond occurs. In the crystal, O—H⋯O hydrogen bonds involving the hy­droxy, lactone and ester groups and C—H⋯O inter­actions are observed. International Union of Crystallography 2012-05-02 /pmc/articles/PMC3379203/ /pubmed/22719401 http://dx.doi.org/10.1107/S1600536812018582 Text en © Hu et al. 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
Hu, Shu-Zhi
Jin, Lu
Yu, Tong
Tian, Hai-Yan
Jiang, Ren-Wang
Brusatol
title Brusatol
title_full Brusatol
title_fullStr Brusatol
title_full_unstemmed Brusatol
title_short Brusatol
title_sort brusatol
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379203/
https://www.ncbi.nlm.nih.gov/pubmed/22719401
http://dx.doi.org/10.1107/S1600536812018582
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