TPCN02653

Name Variegatine
Molecular Formula C21H27NO2
Molecular Weight 325.45
CAS Registry Number 852447-00-8
SMILES C=C1CC23CC(=O)C4C5(C)CC(=O)CC46C(C2CC1CC36)N(C)C5
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum variegatum Aerial parts 0.000449% Phytochemistry 66, 837-846 (2005). 10.1016/j.phytochem.2005.01.019
Properties
HBA 3 HBD 0
HeavyAtoms 24 AlogP 2.85
TPSA 37.38 RotatableBonds 0
FractionCSP3 0.81 Rings 7
AromaticRings 0 AliphaticRings 7