TPCN03174

Name Acoapetaludine K
Molecular Formula C31H42N2O7
Molecular Weight 554.68
CAS Registry Number 2414251-06-0
SMILES CCN1C(=O)C2(COC(=O)c3ccccc3N)CCC(OC)C34C5CC6C(OC)CC(OC)(C(CC23)C14)C5C6O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum apetalum Whole plants 0.000036% Phytochemistry 167, 112111 (2019). 10.1016/j.phytochem.2019.112111
Properties
HBA 9 HBD 3
HeavyAtoms 40 AlogP 2.50
TPSA 120.55 RotatableBonds 7
FractionCSP3 0.74 Rings 7
AromaticRings 1 AliphaticRings 6