TPCN03006

Name Kiritine
Molecular Formula C23H35NO6
Molecular Weight 421.53
CAS Registry Number 161068-75-3
SMILES CCN1CC23OC2CC(O)C24C5CC6C(OC)CC(O)(C5C6OC)C(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 7 HBD 2
HeavyAtoms 30 AlogP 0.27
TPSA 83.92 RotatableBonds 4
FractionCSP3 1.00 Rings 7
AromaticRings 0 AliphaticRings 7