TPCN03077

Name Pubesine
Molecular Formula C23H31NO5
Molecular Weight 401.50
CAS Registry Number 1960465-17-1
SMILES CC(=O)OC1CC23C4CC5C6(C)CCC7OC6N(C)C4C75C2CC1C1(CO1)C3O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum soongaricum Whole plants 0.000077% Nat Prod Res 31, 523-528 (2017). 10.1080/14786419.2016.1198348
Properties
HBA 6 HBD 1
HeavyAtoms 29 AlogP 1.55
TPSA 71.53 RotatableBonds 1
FractionCSP3 0.96 Rings 11
AromaticRings 0 AliphaticRings 11