TPCN02825

Name Weisaconitine A
Molecular Formula C26H41NO5
Molecular Weight 447.62
CAS Registry Number 1616118-32-1
SMILES CCOC12CC(OC)C3CC(C1C3OC(C)=O)C13C(OC)CCC4CN(CC)C1C2CC43
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum weixiense Roots 0.000233% Fitoterapia 91, 280-283 (2013). 10.1016/j.fitote.2013.09.013
Properties
HBA 6 HBD 0
HeavyAtoms 32 AlogP 3.13
TPSA 57.23 RotatableBonds 6
FractionCSP3 0.96 Rings 6
AromaticRings 0 AliphaticRings 6