TPCN03119

Name Nevadenine
Molecular Formula C23H35NO5
Molecular Weight 405.54
CAS Registry Number 100458-94-4
SMILES CCN1C2OC3CCC2(COC)C2CC4C1C32C1CC2C(OC)CC4(O)C1C2O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum japonicum Subterraneous stems 0.000056% J Nat Med 72, 230-237 (2018). 10.1007/s11418-017-1139-9
Properties
HBA 6 HBD 2
HeavyAtoms 29 AlogP 1.24
TPSA 71.39 RotatableBonds 4
FractionCSP3 1.00 Rings 9
AromaticRings 0 AliphaticRings 9