TPCN02641

Name Mesaconine
Molecular Formula C24H39NO9
Molecular Weight 485.57
CAS Registry Number 6792-09-2
SMILES COCC12CN(C)C3C4C(OC)C1C3(C(OC)CC2O)C1CC2(O)C(O)C1C4(O)C(O)C2OC
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum carmichaeli Roots 0.000477% Chem Pharm Bull (Tokyo) 60, 144-149 (2012). 10.1248/cpb.60.144
Properties
HBA 10 HBD 5
HeavyAtoms 34 AlogP -2.18
TPSA 141.31 RotatableBonds 5
FractionCSP3 1.00 Rings 6
AromaticRings 0 AliphaticRings 6