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13-(N,N-Di­methyl­amino)­micheliolide 0.08-hydrate

The title compound, C(17)H(27)NO(3)·0.08H(2)O {sytematic name: (3R,3aS,9R,9aS,9bS)-3-[(di­methyl­amino)­meth­yl]-9-hy­droxy-6,9-dimethyl-3,3a,4,5,7,8,9,9a-octa­hydro­azuleno[4,5-b]furan-2(9bH)-one 0.08-hydrate}, exhibits intra­molecular O—H⋯O hydrogen bonding to form a ring of graph-set motif S(6)....

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Detalles Bibliográficos
Autores principales: Bommagani, Shobanbabu, Penthala, Narsimha Reddy, Janganati, Venumadhav, Parkin, Sean, Crooks, Peter A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3885054/
https://www.ncbi.nlm.nih.gov/pubmed/24454230
http://dx.doi.org/10.1107/S1600536813030304
Descripción
Sumario:The title compound, C(17)H(27)NO(3)·0.08H(2)O {sytematic name: (3R,3aS,9R,9aS,9bS)-3-[(di­methyl­amino)­meth­yl]-9-hy­droxy-6,9-dimethyl-3,3a,4,5,7,8,9,9a-octa­hydro­azuleno[4,5-b]furan-2(9bH)-one 0.08-hydrate}, exhibits intra­molecular O—H⋯O hydrogen bonding to form a ring of graph-set motif S(6). As well as this intra­molecular hydrogen bond with the lactone-ring O atom, the hy­droxy H atom forms an O—H⋯O hydrogen bond to the low-occupancy partial water mol­ecule [occupancy = 0.078 (2)]. The water mol­ecule is correlated with disorder of the N(CH(3))(2) group [major–minor occupancy factors are 0.922 (2):0.078 (2)]. The dihedral angle between the mean planes of the trans-fused seven-membered ring and the lactone ring is 4.42 (9)°.