17-Acetoxymulinic acid
The title compound, [systematic name: 5a-acetoxymethyl-3-isopropyl-8-methyl-1,2,3,3a,4,5,5a,6,7,10,10a,10b-dodecahydro-7,10-endo-epidioxycyclohepta[e]indene-3a-carboxylic acid], C22H32O6 (I), is closely related to methyl 5a-acetoxymethyl-3-isopropyl-8-methyl-1,2,3,3a,4,5,5a,6,7,10,10a,10b-dodecahydr...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2010-09-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810032952 |
| _version_ | 1819280084562870272 |
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| author | Iván Brito Jorge Bórquez Joselyn Albanez Michael Bolte Luis Manuel Peña-Rodríguez |
| author_facet | Iván Brito Jorge Bórquez Joselyn Albanez Michael Bolte Luis Manuel Peña-Rodríguez |
| author_sort | Iván Brito |
| collection | DOAJ |
| description | The title compound, [systematic name: 5a-acetoxymethyl-3-isopropyl-8-methyl-1,2,3,3a,4,5,5a,6,7,10,10a,10b-dodecahydro-7,10-endo-epidioxycyclohepta[e]indene-3a-carboxylic acid], C22H32O6 (I), is closely related to methyl 5a-acetoxymethyl-3-isopropyl-8-methyl-1,2,3,3a,4,5,5a,6,7,10,10a,10b-dodecahydro-7,10-endo-epidioxycyclohepta[e]indene-3a-carboxylate, (II) [Brito et al., (2008). Acta Cryst. E64, o1209]. There are two molecules in the asymmetric unit, which are linked by two strong intramolecular O—H...O hydrogen bonds with graph-set motif R22(8). In both (I) and (II), the conformation of the three fused rings are almost identical. The five-membered ring has an envelope conformation, the six-membered ring has a chair conformation and the seven-membered ring has a boat conformation. The most obvious differences between the two compounds is the observed disorder of the acetoxymethyl fragments in both molecules of the asymmetric unit of (I). This disorder is not observed in (II). The crystal structure and the molecular conformation is stabilized by intermolecular C—H...O hydrogen bonds. The ability to form hydrogen bonds is different in the two compounds. The crystal studied was a non-merohedral twin, the ratio of the twin components being 0.28 (1):0.72 (1) |
| first_indexed | 2024-12-24T00:38:10Z |
| format | Article |
| id | doaj.art-46597618b373439f81bf9ab4670453aa |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-24T00:38:10Z |
| publishDate | 2010-09-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-46597618b373439f81bf9ab4670453aa2022-12-21T17:24:01ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-09-01669o2452o245310.1107/S160053681003295217-Acetoxymulinic acidIván BritoJorge BórquezJoselyn AlbanezMichael BolteLuis Manuel Peña-RodríguezThe title compound, [systematic name: 5a-acetoxymethyl-3-isopropyl-8-methyl-1,2,3,3a,4,5,5a,6,7,10,10a,10b-dodecahydro-7,10-endo-epidioxycyclohepta[e]indene-3a-carboxylic acid], C22H32O6 (I), is closely related to methyl 5a-acetoxymethyl-3-isopropyl-8-methyl-1,2,3,3a,4,5,5a,6,7,10,10a,10b-dodecahydro-7,10-endo-epidioxycyclohepta[e]indene-3a-carboxylate, (II) [Brito et al., (2008). Acta Cryst. E64, o1209]. There are two molecules in the asymmetric unit, which are linked by two strong intramolecular O—H...O hydrogen bonds with graph-set motif R22(8). In both (I) and (II), the conformation of the three fused rings are almost identical. The five-membered ring has an envelope conformation, the six-membered ring has a chair conformation and the seven-membered ring has a boat conformation. The most obvious differences between the two compounds is the observed disorder of the acetoxymethyl fragments in both molecules of the asymmetric unit of (I). This disorder is not observed in (II). The crystal structure and the molecular conformation is stabilized by intermolecular C—H...O hydrogen bonds. The ability to form hydrogen bonds is different in the two compounds. The crystal studied was a non-merohedral twin, the ratio of the twin components being 0.28 (1):0.72 (1)http://scripts.iucr.org/cgi-bin/paper?S1600536810032952 |
| spellingShingle | Iván Brito Jorge Bórquez Joselyn Albanez Michael Bolte Luis Manuel Peña-Rodríguez 17-Acetoxymulinic acid Acta Crystallographica Section E |
| title | 17-Acetoxymulinic acid |
| title_full | 17-Acetoxymulinic acid |
| title_fullStr | 17-Acetoxymulinic acid |
| title_full_unstemmed | 17-Acetoxymulinic acid |
| title_short | 17-Acetoxymulinic acid |
| title_sort | 17 acetoxymulinic acid |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536810032952 |
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