TPCN02294

Name 12-epi-dehydronapelline
Molecular Formula C22H31NO3
Molecular Weight 357.49
CAS Registry Number 116197-11-6
SMILES C=C1C2CC3(C1O)C1CC4C5(C)CCC6OC5N(CC)C1C64C3CC2O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum napellus Aerial parts 0.003136% J Nat Prod 62, 701-704 (1999). 10.1021/np980442c
Ranunculaceae Aconitum nagarum Roots 0.000100% Planta Med 2005; 71: 1073±1076 10.1055/s-2005-873135
Properties
HBA 4 HBD 2
HeavyAtoms 26 AlogP 2.16
TPSA 52.93 RotatableBonds 1
FractionCSP3 0.91 Rings 9
AromaticRings 0 AliphaticRings 9