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Secohellebrigeninamide
The title compound, C(26)H(37)NO(5), was the reaction product of hellebrigenin with N,N-dimethylformamide. It consists of three cyclohexane rings (A, B and C), one five-membered ring (D) and one dihydropyran ring (E). The stereochemistry of the ring junctions is is A/B cis, B/C trans, C/D cis and...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3295466/ https://www.ncbi.nlm.nih.gov/pubmed/22412577 http://dx.doi.org/10.1107/S160053681200520X |
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author | Yuan, Xiao-Feng Tian, Hai-Yan Li, Jin-Hang Yu, Tong Jiang, Ren-Wang |
author_facet | Yuan, Xiao-Feng Tian, Hai-Yan Li, Jin-Hang Yu, Tong Jiang, Ren-Wang |
author_sort | Yuan, Xiao-Feng |
collection | PubMed |
description | The title compound, C(26)H(37)NO(5), was the reaction product of hellebrigenin with N,N-dimethylformamide. It consists of three cyclohexane rings (A, B and C), one five-membered ring (D) and one dihydropyran ring (E). The stereochemistry of the ring junctions is is A/B cis, B/C trans, C/D cis and C/E trans. The cyclohexane rings A, B and C have chair conformations. Both the five-membered ring D and the dihydropyran ring adopt an envelope conformation. Two orientations are found for the aldehyde group with occupancies of 0.608 (10) and 0.392 (10). In the crystal, short O—H⋯O hydrogen bonds and short C—H⋯O contacts involving the hydroxy group, terminal methyl group and carbonyl group link the molecules into a three-dimensional network. |
format | Online Article Text |
id | pubmed-3295466 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32954662012-03-12 Secohellebrigeninamide Yuan, Xiao-Feng Tian, Hai-Yan Li, Jin-Hang Yu, Tong Jiang, Ren-Wang Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(26)H(37)NO(5), was the reaction product of hellebrigenin with N,N-dimethylformamide. It consists of three cyclohexane rings (A, B and C), one five-membered ring (D) and one dihydropyran ring (E). The stereochemistry of the ring junctions is is A/B cis, B/C trans, C/D cis and C/E trans. The cyclohexane rings A, B and C have chair conformations. Both the five-membered ring D and the dihydropyran ring adopt an envelope conformation. Two orientations are found for the aldehyde group with occupancies of 0.608 (10) and 0.392 (10). In the crystal, short O—H⋯O hydrogen bonds and short C—H⋯O contacts involving the hydroxy group, terminal methyl group and carbonyl group link the molecules into a three-dimensional network. International Union of Crystallography 2012-02-10 /pmc/articles/PMC3295466/ /pubmed/22412577 http://dx.doi.org/10.1107/S160053681200520X Text en © Yuan 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 Yuan, Xiao-Feng Tian, Hai-Yan Li, Jin-Hang Yu, Tong Jiang, Ren-Wang Secohellebrigeninamide |
title | Secohellebrigeninamide |
title_full | Secohellebrigeninamide |
title_fullStr | Secohellebrigeninamide |
title_full_unstemmed | Secohellebrigeninamide |
title_short | Secohellebrigeninamide |
title_sort | secohellebrigeninamide |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3295466/ https://www.ncbi.nlm.nih.gov/pubmed/22412577 http://dx.doi.org/10.1107/S160053681200520X |
work_keys_str_mv | AT yuanxiaofeng secohellebrigeninamide AT tianhaiyan secohellebrigeninamide AT lijinhang secohellebrigeninamide AT yutong secohellebrigeninamide AT jiangrenwang secohellebrigeninamide |