Indaconitine 0.5-acetonitrile solvate

The crystal structure of indaconitine hemiacetonitrile solvate, [1 alpha,6 alpha,14 alpha(E),16 beta]-20-ethyl-1,6,16-trimethoxy-4-methoxymethyl-3, 13 -dihydroxyaconitane8,14-diyl 8-acetate 14-benzoate hemiacetonitrile solvate , C34H47NO10. 0.5C(2)H(3)N, a C-19 norditerpenoid alkaloid isolated from th e roots of Aconitum chasmanthum Stapf ex Holmes of Pekistani origin, contai ns a molecule of the alkaloid and half a molecule of the solvate in an asym metric unit. The molecular dimensions are as expected. The fused ring syste m contains one boat, one half-chair, two chair and two envelope conformatio ns. The crystal structure is stabilized by an intermolecular hydrogen bond between indaconitine and acetonitrile, with an O...N distance of 3.036 (6)A ngstrom. An hydroxyl group is also involved in an intramolecular interactio n with a methoxy group, with an O...O separation of 2.643 (5) Angstrom.