Date Published: July 01, 2012
Publisher: International Union of Crystallography
Author(s): San-Lin Wu, Fang Liu.
The title compound [systematic name: (1α,3α,6α,8β,13β,14α,16β)-20-ethyl-8-ethoxy-3,13-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate], C35H51NO10, was isolated from roots of Aconitum carmichaeli Debx., which is a typical C19-diterpenoid alkaloid. The molecule has an aconitane carbon skeleton with four six-membered rings and two five-membered rings. The six-membered rings adopt chair conformations or boat conformations, while the five-membered rings have envelope conformations. Intramolecular O—H⋯O and O—H⋯N hydrogen bonds help to stabilize the molecular structure. Weak intermolecular C—H⋯O interactions occur in the crystal structure.
For a related structure, see: Wang et al. (2009 ▶).