TPCN02848

Name Akiramine
Molecular Formula C25H39NO7
Molecular Weight 465.59
CAS Registry Number 270073-83-1
SMILES CCN1CC2(OC(C)=O)CCC(O)C34C5CC6C(OC)CC(O)(C5C6OC)C(C(OC)C23)C14
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum kirinense Whole plants 0.000205% Fitoterapia 141, 104477 (2020). 10.1016/j.fitote.2020.104477
Properties
HBA 8 HBD 2
HeavyAtoms 33 AlogP 0.83
TPSA 97.69 RotatableBonds 5
FractionCSP3 0.96 Rings 6
AromaticRings 0 AliphaticRings 6