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Crystal structure and Hirshfeld surface analysis of the naturally occurring cassane-type diterpenoid, 6β-cinnamoyl-7β-hydroxyvouacapen-5α-ol
The title compound, C(29)H(36)O(5), a cassane-type diterpenoid {systematic name: (4aR,5R,6R,6aS,7R,11aS,11bR)-4a,6-dihydroxy-4,4,7,11b-tetramethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-5-yl 3-phenylprop-2-enoate}, was isolated from a medicinally important plant, Caesa...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947809/ https://www.ncbi.nlm.nih.gov/pubmed/29765729 http://dx.doi.org/10.1107/S2056989018002499 |
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author | Ogbeide, K. Osahon Kumar, Rajesh Mujeeb-Ur-Rehman, Owolabi, Bodunde Falodun, Abiodun Choudhary, M. Iqbal Yousuf, Sammer |
author_facet | Ogbeide, K. Osahon Kumar, Rajesh Mujeeb-Ur-Rehman, Owolabi, Bodunde Falodun, Abiodun Choudhary, M. Iqbal Yousuf, Sammer |
author_sort | Ogbeide, K. Osahon |
collection | PubMed |
description | The title compound, C(29)H(36)O(5), a cassane-type diterpenoid {systematic name: (4aR,5R,6R,6aS,7R,11aS,11bR)-4a,6-dihydroxy-4,4,7,11b-tetramethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-5-yl 3-phenylprop-2-enoate}, was isolated from a medicinally important plant, Caesalpinia pulcherrima (Fabaceae). In the molecule, three cyclohexane rings are trans-fused and adopt chair, chair and half-chair conformations. In the crystal, molecules are linked via O—H⋯O hydrogen bonds, forming a tape structure along the b-axis direction. The tapes are further linked into a double-tape structure through C—H⋯π interactions. The Hirshfeld surface analysis indicates that the contributions to the crystal packing are H⋯H (65.5%), C⋯H (18.7%), O⋯H (14.5%) and C⋯O (0.3%). |
format | Online Article Text |
id | pubmed-5947809 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-59478092018-05-15 Crystal structure and Hirshfeld surface analysis of the naturally occurring cassane-type diterpenoid, 6β-cinnamoyl-7β-hydroxyvouacapen-5α-ol Ogbeide, K. Osahon Kumar, Rajesh Mujeeb-Ur-Rehman, Owolabi, Bodunde Falodun, Abiodun Choudhary, M. Iqbal Yousuf, Sammer Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(29)H(36)O(5), a cassane-type diterpenoid {systematic name: (4aR,5R,6R,6aS,7R,11aS,11bR)-4a,6-dihydroxy-4,4,7,11b-tetramethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-5-yl 3-phenylprop-2-enoate}, was isolated from a medicinally important plant, Caesalpinia pulcherrima (Fabaceae). In the molecule, three cyclohexane rings are trans-fused and adopt chair, chair and half-chair conformations. In the crystal, molecules are linked via O—H⋯O hydrogen bonds, forming a tape structure along the b-axis direction. The tapes are further linked into a double-tape structure through C—H⋯π interactions. The Hirshfeld surface analysis indicates that the contributions to the crystal packing are H⋯H (65.5%), C⋯H (18.7%), O⋯H (14.5%) and C⋯O (0.3%). International Union of Crystallography 2018-02-23 /pmc/articles/PMC5947809/ /pubmed/29765729 http://dx.doi.org/10.1107/S2056989018002499 Text en © Ogbeide et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ 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.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Ogbeide, K. Osahon Kumar, Rajesh Mujeeb-Ur-Rehman, Owolabi, Bodunde Falodun, Abiodun Choudhary, M. Iqbal Yousuf, Sammer Crystal structure and Hirshfeld surface analysis of the naturally occurring cassane-type diterpenoid, 6β-cinnamoyl-7β-hydroxyvouacapen-5α-ol |
title | Crystal structure and Hirshfeld surface analysis of the naturally occurring cassane-type diterpenoid, 6β-cinnamoyl-7β-hydroxyvouacapen-5α-ol |
title_full | Crystal structure and Hirshfeld surface analysis of the naturally occurring cassane-type diterpenoid, 6β-cinnamoyl-7β-hydroxyvouacapen-5α-ol |
title_fullStr | Crystal structure and Hirshfeld surface analysis of the naturally occurring cassane-type diterpenoid, 6β-cinnamoyl-7β-hydroxyvouacapen-5α-ol |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of the naturally occurring cassane-type diterpenoid, 6β-cinnamoyl-7β-hydroxyvouacapen-5α-ol |
title_short | Crystal structure and Hirshfeld surface analysis of the naturally occurring cassane-type diterpenoid, 6β-cinnamoyl-7β-hydroxyvouacapen-5α-ol |
title_sort | crystal structure and hirshfeld surface analysis of the naturally occurring cassane-type diterpenoid, 6β-cinnamoyl-7β-hydroxyvouacapen-5α-ol |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947809/ https://www.ncbi.nlm.nih.gov/pubmed/29765729 http://dx.doi.org/10.1107/S2056989018002499 |
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