TPCN02604

Name Hypaconine
Molecular Formula C24H39NO8
Molecular Weight 469.58
CAS Registry Number 63238-68-6
SMILES COCC12CCC(OC)C34C5CC6(O)C(O)C5C(O)(C(O)C6OC)C(C(OC)C13)C4N(C)C2
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum carmichaeli Roots 0.000568% Chem Pharm Bull (Tokyo) 60, 144-149 (2012). 10.1248/cpb.60.144
Properties
HBA 9 HBD 4
HeavyAtoms 33 AlogP -1.15
TPSA 121.08 RotatableBonds 5
FractionCSP3 1.00 Rings 6
AromaticRings 0 AliphaticRings 6