TPCN02749

Name Altaconitine
Molecular Formula C34H47NO12
Molecular Weight 661.75
CAS Registry Number 171090-87-2
SMILES CCN1CC2(COC)C(O)C(O)C(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum soongaricum Whole plants 0.000308% Nat Prod Res 31, 523-528 (2017). 10.1080/14786419.2016.1198348
Properties
HBA 13 HBD 4
HeavyAtoms 47 AlogP -0.38
TPSA 173.68 RotatableBonds 9
FractionCSP3 0.76 Rings 7
AromaticRings 1 AliphaticRings 6