TPCN02786

Name N-deethylaconine
Molecular Formula C23H37NO9
Molecular Weight 471.55
CAS Registry Number 1323436-40-3
SMILES COCC12CNC3C4C(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 0.000273% Chem Pharm Bull (Tokyo) 60, 144-149 (2012). 10.1248/cpb.60.144
Properties
HBA 10 HBD 6
HeavyAtoms 33 AlogP -2.52
TPSA 150.10 RotatableBonds 5
FractionCSP3 1.00 Rings 6
AromaticRings 0 AliphaticRings 6