TPCN02398

Name 5-cetylsongoramine
Molecular Formula C24H31NO4
Molecular Weight 397.52
CAS Registry Number 76971-23-8
SMILES C=C1C2CC3(C1OC(C)=O)C1CC4C5(C)CCC6OC5N(CC)C1C64C3CC2=O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum carmichaeli Roots 0.001722% Molecules 17, 5187-5194 (2012). 10.3390/molecules17055187
Properties
HBA 5 HBD 0
HeavyAtoms 29 AlogP 2.93
TPSA 55.84 RotatableBonds 2
FractionCSP3 0.83 Rings 9
AromaticRings 0 AliphaticRings 9