Oleanolic acid ethanol monosolvate
Crystals of the title compound (systematic name: 3β-hydroxyolean-12-en-28-oic acid ethanol monosolvate), C30H48O3·C2H5OH, were obtained from unsuccessful co-crystallization trials. The asymmetric unit contains two symmetry-independent oleanolic acid molecules, as well as tw...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2010-11-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810039929 |
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doaj-9083b829f34a4a3abeec0c7018a2d4862020-11-24T21:32:00ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-11-016611o2790o279010.1107/S1600536810039929Oleanolic acid ethanol monosolvateAnna FroelichAndrzej K. GzellaCrystals of the title compound (systematic name: 3β-hydroxyolean-12-en-28-oic acid ethanol monosolvate), C30H48O3·C2H5OH, were obtained from unsuccessful co-crystallization trials. The asymmetric unit contains two symmetry-independent oleanolic acid molecules, as well as two ethanol solvent molecules. Intermolecular O—H...O hydrogen bonds stabilize the crystal packing. In the oleanolic acid molecules, ring C has a slightly distorted envelope conformation, while rings A, B, D and E adopt chair conformations and rings D and E are cis-fused. Both independent ethanol molecules are orientationally disordered [occupancy ratios of 0.742 (8):0.258 (8) and 0.632 (12):0.368 (12). http://scripts.iucr.org/cgi-bin/paper?S1600536810039929 |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Anna Froelich Andrzej K. Gzella |
| spellingShingle |
Anna Froelich Andrzej K. Gzella Oleanolic acid ethanol monosolvate Acta Crystallographica Section E |
| author_facet |
Anna Froelich Andrzej K. Gzella |
| author_sort |
Anna Froelich |
| title |
Oleanolic acid ethanol monosolvate |
| title_short |
Oleanolic acid ethanol monosolvate |
| title_full |
Oleanolic acid ethanol monosolvate |
| title_fullStr |
Oleanolic acid ethanol monosolvate |
| title_full_unstemmed |
Oleanolic acid ethanol monosolvate |
| title_sort |
oleanolic acid ethanol monosolvate |
| publisher |
International Union of Crystallography |
| series |
Acta Crystallographica Section E |
| issn |
1600-5368 |
| publishDate |
2010-11-01 |
| description |
Crystals of the title compound (systematic name: 3β-hydroxyolean-12-en-28-oic acid ethanol monosolvate), C30H48O3·C2H5OH, were obtained from unsuccessful co-crystallization trials. The asymmetric unit contains two symmetry-independent oleanolic acid molecules, as well as two ethanol solvent molecules. Intermolecular O—H...O hydrogen bonds stabilize the crystal packing. In the oleanolic acid molecules, ring C has a slightly distorted envelope conformation, while rings A, B, D and E adopt chair conformations and rings D and E are cis-fused. Both independent ethanol molecules are orientationally disordered [occupancy ratios of 0.742 (8):0.258 (8) and 0.632 (12):0.368 (12). |
| url |
http://scripts.iucr.org/cgi-bin/paper?S1600536810039929 |
| work_keys_str_mv |
AT annafroelich oleanolicacidethanolmonosolvate AT andrzejkgzella oleanolicacidethanolmonosolvate |
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1725958917874253824 |