(1?,2?,3?,7?,11?,13?)-1,3,11-Triacet-oxy-2,13-bis-(benz-yloxy)-7-hydr-oxy-21-methyl-N,19-secohetisan-19-al.

ABSTRACT: The title compound (delgradine), C(41)H(43)NO(12), is a hetisine-type C(20)-diterpenoid alkaloid, isolated from the roots of Aconitum carmichaeli Debx. In the crystal structure, the mol-ecule assumes an U-shaped conformation, the terminal benzene rings being approximately parallel and partially overlapped with each other. The mol-ecule contains eight alicyclic and heterocyclic rings. Cyclo-hexane rings A and B adopt similar chair conformations; the six-membered rings C, D and E form a bicyclo-[2.2.2]octane system with a boat conformation for each six-membered ring, the six-membered heterocyclic ring F has a screw-boat conformation and both of the five-membered rings G and H have envelope conformations. The crystal structure contains inter-molecular O-H?O hydrogen bonding.

SUBMITTER: Li SH 

PROVIDER: S-EPMC2962025 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature