TPCN02834

Name Nevadensine
Molecular Formula C23H35NO6
Molecular Weight 421.53
CAS Registry Number 100447-59-4
SMILES CCN1C2OC3CCC2(COC)C2CC4(O)C1C32C1CC2C(OC)CC4(O)C1C2O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum japonicum Subterraneous stems 0.000223% J Nat Med 72, 230-237 (2018). 10.1007/s11418-017-1139-9
Properties
HBA 7 HBD 3
HeavyAtoms 30 AlogP 0.36
TPSA 91.62 RotatableBonds 4
FractionCSP3 1.00 Rings 9
AromaticRings 0 AliphaticRings 9