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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2012
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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. |
format | Online Article Text |
id | pubmed-3379203 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT hushuzhi brusatol AT jinlu brusatol AT yutong brusatol AT tianhaiyan brusatol AT jiangrenwang brusatol |