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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...

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Autores principales: Yuan, Xiao-Feng, Tian, Hai-Yan, Li, Jin-Hang, Yu, Tong, 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/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.
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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
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