TPCN03117

Name Septentriodine
Molecular Formula C37H52N2O11
Molecular Weight 700.83
CAS Registry Number 69787-05-9
SMILES CCN1CC2(COC(=O)c3ccccc3N=C(O)CCC(=O)OC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum kirinense Whole plants 0.000058% Fitoterapia 141, 104477 (2020). 10.1016/j.fitote.2020.104477
Properties
HBA 13 HBD 3
HeavyAtoms 50 AlogP 2.68
TPSA 165.81 RotatableBonds 12
FractionCSP3 0.76 Rings 7
AromaticRings 1 AliphaticRings 6