TPCN02854

Name Scaconine
Molecular Formula C24H39NO5
Molecular Weight 421.58
CAS Registry Number 156310-13-3
SMILES CCN1CC2(CO)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6OC
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum brevicalcaratum Whole plants 0.000200% Nat Prod Res 33, 1741-1746 (2019). 10.1080/14786419.2018.1437435
Properties
HBA 6 HBD 2
HeavyAtoms 30 AlogP 1.53
TPSA 71.39 RotatableBonds 5
FractionCSP3 1.00 Rings 6
AromaticRings 0 AliphaticRings 6