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dc.creatorBrito, Iván
dc.creatorBorquez, Jorge
dc.creatorCárdenas, Alejandro
dc.creatorAvendaño, Maria
dc.creatorSimirgiotis, Mario
dc.date2017-06-16
dc.date.accessioned2019-11-13T15:11:36Z
dc.date.available2019-11-13T15:11:36Z
dc.identifierhttp://www.jcchems.com/index.php/JCCHEMS/article/view/202
dc.identifier.urihttps://revistaschilenas.uchile.cl/handle/2250/112609
dc.descriptionThe molecular structure of the title compound [iupac name: 13-epi-8–hydroxy-3-isopropyl-5a,8-dimethyl-2,3,4,5,5a,6,7,8,10a,10b-decahydrocyclohepta[e] indene-3a(1H) acid] is similar to the structure of the known compound mulinolic acid.The structure of this mulinolic acid epimer consists of a mulinane skeleton and the isopropyl, methyl group, carboxylic acid and the hydroxyl group at C3, C8, C5, C13, respectively, which are β-oriented, whereas the methyl group at C13 are α-oriented. The cyclopentane (A), ciclohexane (B) and cicloheptene (C) rings are trans (A/B) and (B/C) cis fused, and are in an envelope, chair, and twist chair conformation respectively. In the crystal the molecules are linked by two strong intermolecular OH⋅⋅⋅O hydrogen bond forming bidimensional supramolecular structures with graph-set notation (12) and (46).The absolute configuration of the title compound which has been determined from the refinement of the Flack parameter16. On this basis the absolute configuration was assigned as C3R, C5S, C8S, C9S, C10S and C13S.en-US
dc.formatapplication/pdf
dc.languageeng
dc.publisherSociedad Chilena de Químicaen-US
dc.relationhttp://www.jcchems.com/index.php/JCCHEMS/article/view/202/163
dc.rightsCopyright (c) 2017 Iván Brito, Jorge Borquez, Alejandro Cárdenas, Maria Avendaño, Mario Simirgiotisen-US
dc.rightshttps://creativecommons.org/licenses/by-nc-sa/4.0en-US
dc.sourceJournal of the Chilean Chemical Society; Vol 62 No 2 (2017): Journal of the Chilean Chemical Societyen-US
dc.source0717-9707
dc.source0717-9324
dc.subjectAbsolute configurationen-US
dc.subjectDiterpenoiden-US
dc.subjectX-ray diffractionen-US
dc.subjectCrystal and Supramolecular structureen-US
dc.titleABSOLUTE CONFIGURATION OF 13-EPIMULINOLIC ACIDen-US
dc.typeinfo:eu-repo/semantics/article
dc.typeinfo:eu-repo/semantics/publishedVersion


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