TPCN02640

Name Acoapetaludine J
Molecular Formula C28H35NO7
Molecular Weight 497.59
CAS Registry Number 2414251-05-9
SMILES COC1CC2(O)C3CC4C5(COC(=O)c6ccccc6O)C=NC3C4(C(OC)CC5)C3CC1C(O)C32
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum apetalum Whole plants 0.000486% Phytochemistry 167, 112111 (2019). 10.1016/j.phytochem.2019.112111
Properties
HBA 8 HBD 3
HeavyAtoms 36 AlogP 2.20
TPSA 117.81 RotatableBonds 5
FractionCSP3 0.71 Rings 7
AromaticRings 1 AliphaticRings 6