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3-Oxoolean-1-en-28-oic acid–n-hexane–water (4/1/1) from the bark of Walsura pinnata Hassk
3-Oxoolean-1-en-28-oic acid, isolated from the bark of Walsura pinnata Hassk, crystallized from n-hexane as an n-hexane 0.25-solvent 0.25-hydrate, C(30)H(46)O(3)·0.25C(6)H(14)·0.25H(2)O. There are two independent molecules in the asymmetric unit of the title compound. The three six-membered cycloh...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977831/ https://www.ncbi.nlm.nih.gov/pubmed/21583968 http://dx.doi.org/10.1107/S1600536809015086 |
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author | Awang, Khalijah Yusoff, Mahfizah Mohamad, Khalit Chong, Soo Lim Ng, Seik Weng |
author_facet | Awang, Khalijah Yusoff, Mahfizah Mohamad, Khalit Chong, Soo Lim Ng, Seik Weng |
author_sort | Awang, Khalijah |
collection | PubMed |
description | 3-Oxoolean-1-en-28-oic acid, isolated from the bark of Walsura pinnata Hassk, crystallized from n-hexane as an n-hexane 0.25-solvent 0.25-hydrate, C(30)H(46)O(3)·0.25C(6)H(14)·0.25H(2)O. There are two independent molecules in the asymmetric unit of the title compound. The three six-membered cyclohexane rings in each molecule adopt chair conformations and the carboxyl substituent occupies an axial/equatorial position. The two independent molecules are linked by a pair of O—H(carboxyl)⋯O hydrogen bonds into a dimer. The n-hexane molecule is disordered about a twofold rotation axis and the water molecule lies on a twofold rotation axis. In addition, the cyclohexone carbonyl group of one of the independent molecules is disordered over two sites with occupancies of 0.75 and 0.25. |
format | Text |
id | pubmed-2977831 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29778312010-12-30 3-Oxoolean-1-en-28-oic acid–n-hexane–water (4/1/1) from the bark of Walsura pinnata Hassk Awang, Khalijah Yusoff, Mahfizah Mohamad, Khalit Chong, Soo Lim Ng, Seik Weng Acta Crystallogr Sect E Struct Rep Online Organic Papers 3-Oxoolean-1-en-28-oic acid, isolated from the bark of Walsura pinnata Hassk, crystallized from n-hexane as an n-hexane 0.25-solvent 0.25-hydrate, C(30)H(46)O(3)·0.25C(6)H(14)·0.25H(2)O. There are two independent molecules in the asymmetric unit of the title compound. The three six-membered cyclohexane rings in each molecule adopt chair conformations and the carboxyl substituent occupies an axial/equatorial position. The two independent molecules are linked by a pair of O—H(carboxyl)⋯O hydrogen bonds into a dimer. The n-hexane molecule is disordered about a twofold rotation axis and the water molecule lies on a twofold rotation axis. In addition, the cyclohexone carbonyl group of one of the independent molecules is disordered over two sites with occupancies of 0.75 and 0.25. International Union of Crystallography 2009-04-30 /pmc/articles/PMC2977831/ /pubmed/21583968 http://dx.doi.org/10.1107/S1600536809015086 Text en © Awang et al. 2009 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 Awang, Khalijah Yusoff, Mahfizah Mohamad, Khalit Chong, Soo Lim Ng, Seik Weng 3-Oxoolean-1-en-28-oic acid–n-hexane–water (4/1/1) from the bark of Walsura pinnata Hassk |
title | 3-Oxoolean-1-en-28-oic acid–n-hexane–water (4/1/1) from the bark of Walsura pinnata Hassk |
title_full | 3-Oxoolean-1-en-28-oic acid–n-hexane–water (4/1/1) from the bark of Walsura pinnata Hassk |
title_fullStr | 3-Oxoolean-1-en-28-oic acid–n-hexane–water (4/1/1) from the bark of Walsura pinnata Hassk |
title_full_unstemmed | 3-Oxoolean-1-en-28-oic acid–n-hexane–water (4/1/1) from the bark of Walsura pinnata Hassk |
title_short | 3-Oxoolean-1-en-28-oic acid–n-hexane–water (4/1/1) from the bark of Walsura pinnata Hassk |
title_sort | 3-oxoolean-1-en-28-oic acid–n-hexane–water (4/1/1) from the bark of walsura pinnata hassk |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977831/ https://www.ncbi.nlm.nih.gov/pubmed/21583968 http://dx.doi.org/10.1107/S1600536809015086 |
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