TPCN02767

Name 8-acetylexcelsine
Molecular Formula C24H35NO7
Molecular Weight 449.54
CAS Registry Number 142735-46-4
SMILES CCN1CC23OC2CC(O)C24C1C(CC32)C1(OC(C)=O)CC(OC)C2CC4C1(O)C2OC
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum kirinense Whole plants 0.000293% Fitoterapia 141, 104477 (2020). 10.1016/j.fitote.2020.104477
Properties
HBA 8 HBD 2
HeavyAtoms 32 AlogP 0.33
TPSA 100.99 RotatableBonds 4
FractionCSP3 0.96 Rings 7
AromaticRings 0 AliphaticRings 7