17-Acetoxymulinic acid

dc.creatorIVÁN BRITO BOBADILLA
dc.creatorJORGE BÓRQUEZ RAMÍREZ
dc.creatorJOSELYN ALBANEZ
dc.creatorMICHAEL BOLTE
dc.creatorLUIS MANUEL PEÑA RODRIGUEZ
dc.date2010
dc.date.accessioned2023-07-21T19:18:07Z
dc.date.available2023-07-21T19:18:07Z
dc.identifierhttp://cicy.repositorioinstitucional.mx/jspui/handle/1003/1302
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/7736865
dc.descriptionThe 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 R 2 2(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)
dc.formatapplication/pdf
dc.languageeng
dc.relationinfo:eu-repo/semantics/datasetDOI/10.1107/S1600536810032952
dc.relationcitation:Brito, I., Bórquez, J., Albanez, J., Bolte, M., & Peña-Rodríguez, L. M. (2010). 17-Acetoxymulinic acid. Acta Crystallographica Section E: Structure Reports Online, 66(9), o2452-o2453.
dc.rightsinfo:eu-repo/semantics/openAccess
dc.rightshttp://creativecommons.org/licenses/by-nc-nd/4.0
dc.sourceActa Crystallographica Section E: Structure Reports Online, 66(9), o2452-o2453.
dc.subjectinfo:eu-repo/classification/Autores/SINGLE-CRYSTAL X-RAY STUDY
dc.subjectinfo:eu-repo/classification/Autores/T = 173 K; MEAN (C–C) = 0.008 A˚
dc.subjectinfo:eu-repo/classification/Autores/DISORDER IN MAIN RESIDUE
dc.subjectinfo:eu-repo/classification/Autores/R FACTOR = 0.055
dc.subjectinfo:eu-repo/classification/Autores/WR FACTOR = 0.137
dc.subjectinfo:eu-repo/classification/Autores/DATA-TO-PARAMETER RATIO = 7.8.
dc.subjectinfo:eu-repo/classification/cti/2
dc.subjectinfo:eu-repo/classification/cti/2
dc.title17-Acetoxymulinic acid
dc.typeinfo:eu-repo/semantics/article
dc.typeinfo:eu-repo/semantics/publishedVersion


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