TPCN02921

Name Acoapetaludine E
Molecular Formula C31H43NO7
Molecular Weight 541.69
CAS Registry Number 2414251-00-4
SMILES CCN1CC2(COC(=O)c3ccccc3O)CCC(OC)C34C5CC6C(OC)CC(OC)(C(CC23)C14)C5C6O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum apetalum Whole plants 0.000164% Phytochemistry 167, 112111 (2019). 10.1016/j.phytochem.2019.112111
Properties
HBA 8 HBD 2
HeavyAtoms 39 AlogP 3.10
TPSA 97.69 RotatableBonds 7
FractionCSP3 0.77 Rings 7
AromaticRings 1 AliphaticRings 6