13-(N,N-Di-methyl-amino)-micheliolide 0.08-hydrate.
The title compound, C17H27NO3·0.08H2O {sytematic name: (3R,3aS,9R,9aS,9bS)-3-[(di-methyl-amino)-meth-yl]-9-hy-droxy-6,9-dimethyl-3,3a,4,5,7,8,9,9a-octa-hydro-azuleno[4,5-b]furan-2(9bH)-one 0.08-hydrate}, exhibits intra-molecular O-H⋯O hydrogen bonding to form a ring of graph-set motif S(6). As well as this intra-molecular hydrogen bond with the lactone-ring O atom, the hy-droxy H atom forms an O-H⋯O hydrogen bond to the low-occupancy partial water mol-ecule [occupancy = 0.078 (2)]. The water mol-ecule is correlated with disorder of the N(CH3)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)°.
Dept. of Pharm. Sciences, College of Pharmacy, University of Arkansas for Medical Sciences, Little Rock, AR 72205, USA.
Shobanbabu
S
Bommagani
Dept. of Pharm. Sciences, College of Pharmacy, University of Arkansas for Medical Sciences, Little Rock, AR 72205, USA.
Narsimha Reddy
NR
Penthala
Dept. of Pharm. Sciences, College of Pharmacy, University of Arkansas for Medical Sciences, Little Rock, AR 72205, USA.
Venumadhav
V
Janganati
Dept. of Chemistry, University of Kentucky, Lexington KY 40506, USA.
Sean
S
Parkin
Dept. of Pharm. Sciences, College of Pharmacy, University of Arkansas for Medical Sciences, Little Rock, AR 72205, USA.
Peter A
PA
Crooks