TPCN02707

Name Brevicanine
Molecular Formula C34H48N2O7
Molecular Weight 596.77
CAS Registry Number 2225785-59-9
SMILES CCN1CC2(COC(=O)c3ccccc3NC(C)=O)CCC(OC)C34C5CC6C(OC)CC(OC)(C(CC23)C14)C5C6OC
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum brevicalcaratum Whole plants 0.000360% Nat Prod Res 33, 1741-1746 (2019). 10.1080/14786419.2018.1437435
Properties
HBA 9 HBD 1
HeavyAtoms 43 AlogP 4.01
TPSA 95.56 RotatableBonds 9
FractionCSP3 0.76 Rings 7
AromaticRings 1 AliphaticRings 6