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 the roots of Aconitum chasmanthum Stapf ex Holmes of Pekistani origin, contains a molecule of the alkaloid and half a molecule of the solvate in an asymmetric unit. The molecular dimensions are as expected. The fused ring system contains one boat, one half-chair, two chair and two envelope conformations. The crystal structure is stabilized by an intermolecular hydrogen bond between indaconitine and acetonitrile, with an O...N distance of 3.036 (6)Angstrom. An hydroxyl group is also involved in an intramolecular interaction with a methoxy group, with an O...O separation of 2.643 (5) Angstrom.