TPCN02939

Name Monticamine
Molecular Formula C22H33NO5
Molecular Weight 391.51
CAS Registry Number 81047-05-4
SMILES CCN1CC23OC2CC(O)C24C5CC6C(OC)CC(O)(C(CC32)C14)C5C6OC
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum kirinense Whole plants 0.000156% Fitoterapia 141, 104477 (2020). 10.1016/j.fitote.2020.104477
Ranunculaceae Aconitum barbatum Roots 0.000054% Org Lett 14, 2758-2761 (2012). 10.1021/ol3008217
Properties
HBA 6 HBD 2
HeavyAtoms 28 AlogP 0.65
TPSA 74.69 RotatableBonds 3
FractionCSP3 1.00 Rings 7
AromaticRings 0 AliphaticRings 7