TPCN03152

Name Acetyllycoctonine
Molecular Formula C27H43NO8
Molecular Weight 509.64
CAS Registry Number 26871-60-3
SMILES CCN1CC2(COC(C)=O)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum kirinense Whole plants 0.000042% Fitoterapia 141, 104477 (2020). 10.1016/j.fitote.2020.104477
Properties
HBA 9 HBD 2
HeavyAtoms 36 AlogP 0.84
TPSA 106.92 RotatableBonds 7
FractionCSP3 0.96 Rings 6
AromaticRings 0 AliphaticRings 6