3-Deoxyaconitine from the root of Aconitum Carmichaeli Debx.

The title compound (systematic name: 8β-acetoxy-14α-benzoyloxy-N-ethyl-13β,15α-dihydroxy-1α,6α,16β-trimethoxy-4β-methoxymethyleneaconitane), C34H47NO10, is a typical aconitine-type C19-diterpenoid alkaloid, and was isolated from the roots of the Aconitum carmichaeli Debx. The molecule has an aconitine carbon skeleton with four six-membered rings and two five-membered rings, whose geometry is similar to these observed in other C19-diterpenoid alkaloids; both of five-membered rings have the envelope configurations and the six-membered N-containing heterocyclic ring displays a chair conformation. Intramolecular O—H...O hydrogen bonding occurs. Weak intermolecular C—H...O hydrogen bonding is observed in the crystal structure.