TPCN03280

Name Hetisinone
Molecular Formula C20H25NO3
Molecular Weight 327.42
CAS Registry Number 4829-55-4
SMILES C=C1CC23CC4C5C6(C)CC(=O)CC57C(C2C(O)C1C(O)C37)N4C6
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum anthora Whole plants 0.010455% Planta Med 2011; 77: 368–373 10.1055/s-0030-1250362
Properties
HBA 4 HBD 2
HeavyAtoms 24 AlogP 0.97
TPSA 60.77 RotatableBonds 0
FractionCSP3 0.85 Rings 9
AromaticRings 0 AliphaticRings 9