Absolute configuration of methyl isoeichlerialactone
The title compound, C28H44O4·0.56H2O, is a co-crystal of methyl isoeichlerialactone monohydrate as the major component and methyl isoeichlerialactone as the minor component in a 0.55778 (3):0.44222 (3) ratio. The conformations of both components are identical...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2010-07-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810018295 |
| _version_ | 1819280902040059904 |
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| author | Hoong-Kun Fun Nantiya Joycharat Supayang Piyawan Voravuthikunchai Suchada Chantrapromma |
| author_facet | Hoong-Kun Fun Nantiya Joycharat Supayang Piyawan Voravuthikunchai Suchada Chantrapromma |
| author_sort | Hoong-Kun Fun |
| collection | DOAJ |
| description | The title compound, C28H44O4·0.56H2O, is a co-crystal of methyl isoeichlerialactone monohydrate as the major component and methyl isoeichlerialactone as the minor component in a 0.55778 (3):0.44222 (3) ratio. The conformations of both components are identical except for that of the –COOCH3 group of the methyl propanoate side chain on the cyclohexane ring which is positionally disordered over two orientations. The molecule of methyl isoeichlerialactone has three fused rings and all rings are trans-fused. The two cyclohexane rings are in standard chair conformations and the cyclopentane ring adopts an envelope conformation. In the crystal, weak C—H...O interactions link methyl isoeichlerialactone molecules into screw chains along [010]. The crystal structure is further stabilized by O—H...O hydrogen bonds and weak C—H...O interactions. |
| first_indexed | 2024-12-24T00:51:10Z |
| format | Article |
| id | doaj.art-75d51bb05fb54c1b86fd5b1fc6cd0330 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-24T00:51:10Z |
| publishDate | 2010-07-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-75d51bb05fb54c1b86fd5b1fc6cd03302022-12-21T17:23:35ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-07-01667o1604o160510.1107/S1600536810018295Absolute configuration of methyl isoeichlerialactoneHoong-Kun FunNantiya JoycharatSupayang Piyawan VoravuthikunchaiSuchada ChantraprommaThe title compound, C28H44O4·0.56H2O, is a co-crystal of methyl isoeichlerialactone monohydrate as the major component and methyl isoeichlerialactone as the minor component in a 0.55778 (3):0.44222 (3) ratio. The conformations of both components are identical except for that of the –COOCH3 group of the methyl propanoate side chain on the cyclohexane ring which is positionally disordered over two orientations. The molecule of methyl isoeichlerialactone has three fused rings and all rings are trans-fused. The two cyclohexane rings are in standard chair conformations and the cyclopentane ring adopts an envelope conformation. In the crystal, weak C—H...O interactions link methyl isoeichlerialactone molecules into screw chains along [010]. The crystal structure is further stabilized by O—H...O hydrogen bonds and weak C—H...O interactions.http://scripts.iucr.org/cgi-bin/paper?S1600536810018295 |
| spellingShingle | Hoong-Kun Fun Nantiya Joycharat Supayang Piyawan Voravuthikunchai Suchada Chantrapromma Absolute configuration of methyl isoeichlerialactone Acta Crystallographica Section E |
| title | Absolute configuration of methyl isoeichlerialactone |
| title_full | Absolute configuration of methyl isoeichlerialactone |
| title_fullStr | Absolute configuration of methyl isoeichlerialactone |
| title_full_unstemmed | Absolute configuration of methyl isoeichlerialactone |
| title_short | Absolute configuration of methyl isoeichlerialactone |
| title_sort | absolute configuration of methyl isoeichlerialactone |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536810018295 |
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