In Vivo and In Vitro Metabolites from the Main Diester and Monoester Diterpenoid Alkaloids in a Traditional Chinese Herb, the Aconitum Species

Table 1

DDA, MDA, and alcohol amine chemical structures.

Compounds	R1	R2	R3	R4	Formula	Mass
DDAs
Aconitine (AC)	Ethyl (Et)	Hydroxy (OH)	Acetyl (Ac)	Benzoyl (Bz)	C34H47NO11	645.3149
Mesaconitine (MA)	Methyl (Me)	OH	Ac	Bz	C33H45NO11	631.2992
Hypaconitine (HA)	Me	Hydrogen (H)	Ac	Bz	C33H45NO10	615.3043
MDAs
Benzoylaconine (BAC)	Et	OH	H	Bz	C32H45NO10	603.3043
Benzoylmesaconine (BMA)	Me	OH	H	Bz	C31H43NO10	589.2887
Benzoylhypaconine (BHA)	Me	H	H	Bz	C31H43NO9	573.2938
Alcohol amines
Aconine	Et	OH	H	H	C25H41NO9	499.2781
Mesaconine	Me	OH	H	H	C24H39NO9	485.2625
Hypaconine	Me	H	H	H	C24H39NO8	469.2676