TPCN02723

Name 8-O-ethylscaconine
Molecular Formula C26H43NO5
Molecular Weight 449.63
CAS Registry Number 155653-04-6
SMILES CCOC12CC(OC)C3CC(C1C3OC)C13C(OC)CCC4(CO)CN(CC)C1C2CC43
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum brevicalcaratum Whole plants 0.000340% Nat Prod Res 33, 1741-1746 (2019). 10.1080/14786419.2018.1437435
Properties
HBA 6 HBD 1
HeavyAtoms 32 AlogP 2.58
TPSA 60.39 RotatableBonds 7
FractionCSP3 1.00 Rings 6
AromaticRings 0 AliphaticRings 6