TPCN02977

Name Acoapetaludine D
Molecular Formula C30H41NO7
Molecular Weight 527.66
CAS Registry Number 2414250-99-8
SMILES CCN1CC2(COC(=O)c3ccccc3O)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum apetalum Whole plants 0.000127% Phytochemistry 167, 112111 (2019). 10.1016/j.phytochem.2019.112111
Properties
HBA 8 HBD 3
HeavyAtoms 38 AlogP 2.45
TPSA 108.69 RotatableBonds 6
FractionCSP3 0.77 Rings 7
AromaticRings 1 AliphaticRings 6