TPCN03295

Name Vilmorrianone (1)
Molecular Formula C23H27NO5
Molecular Weight 397.47
CAS Registry Number 135626-83-4
SMILES C=C1CC23C(=O)C(=O)C4C5(C)CC(OC(C)=O)CC46C(C2C(=O)C1CC36)N(C)C5
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum vilmorinianum Roots 0.001000% Planta Med. 57(1991) 10.1055/s-2006-960089
Properties
HBA 6 HBD 0
HeavyAtoms 29 AlogP 1.57
TPSA 80.75 RotatableBonds 1
FractionCSP3 0.74 Rings 7
AromaticRings 0 AliphaticRings 7