TPCN02867

Name Acoapetaludine H
Molecular Formula C28H35NO6
Molecular Weight 481.59
CAS Registry Number 2414251-03-7
SMILES COC1CC2(O)C3CC4C5(COC(=O)c6ccccc6)C=NC3C4(C(OC)CC5)C3CC1C(O)C32
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum apetalum Whole plants 0.000197% Phytochemistry 167, 112111 (2019). 10.1016/j.phytochem.2019.112111
Properties
HBA 7 HBD 2
HeavyAtoms 35 AlogP 2.49
TPSA 97.58 RotatableBonds 5
FractionCSP3 0.71 Rings 7
AromaticRings 1 AliphaticRings 6