TPCN03361

Name Coreanine B
Molecular Formula C25H35NO5
Molecular Weight 429.56
CAS Registry Number 2412446-34-3
SMILES C=C1CC23CC4C5C6(C)CC(OC(=O)C(C)CC)CC57C2C(O)C1C(O)C3(O)C7N4C6
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum coreanum Roots 0.000055% None 10.1002/cbdv.201900600
Properties
HBA 6 HBD 3
HeavyAtoms 31 AlogP 1.48
TPSA 90.23 RotatableBonds 3
FractionCSP3 0.88 Rings 9
AromaticRings 0 AliphaticRings 9