TPCN03007

Name 14-demethyltuguaconitine
Molecular Formula C22H33NO7
Molecular Weight 423.51
CAS Registry Number 254876-70-5
SMILES CCN1CC23OC2CC(O)C24C5CC6C(OC)CC(O)(C5C6O)C(O)(C(OC)C32)C14
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum kirinense Whole plants 0.000107% Fitoterapia 141, 104477 (2020). 10.1016/j.fitote.2020.104477
Properties
HBA 8 HBD 4
HeavyAtoms 30 AlogP -1.27
TPSA 115.15 RotatableBonds 3
FractionCSP3 1.00 Rings 7
AromaticRings 0 AliphaticRings 7