Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Awang, Khalijah, Yusoff, Mahfizah, Mohamad, Khalit, Chong, Soo Lim, Ng, Seik Weng
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
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
_version_ 1782191198850514944
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
work_keys_str_mv AT awangkhalijah 3oxoolean1en28oicacidnhexanewater411fromthebarkofwalsurapinnatahassk
AT yusoffmahfizah 3oxoolean1en28oicacidnhexanewater411fromthebarkofwalsurapinnatahassk
AT mohamadkhalit 3oxoolean1en28oicacidnhexanewater411fromthebarkofwalsurapinnatahassk
AT chongsoolim 3oxoolean1en28oicacidnhexanewater411fromthebarkofwalsurapinnatahassk
AT ngseikweng 3oxoolean1en28oicacidnhexanewater411fromthebarkofwalsurapinnatahassk