TPCN02879

Name 14-benzoylaconine-8-palmitate
Molecular Formula C48H75NO11
Molecular Weight 842.12
CAS Registry Number 158584-73-7
SMILES CCCCCCCCCCCCCCCC(=O)OC12C(O)C(OC)C3(O)CC(C1C3OC(=O)c1ccccc1)C13C(OC)CC(O)C4(COC)CN(CC)C1C2C(OC)C43
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum soongaricum Whole plants 0.000185% Nat Prod Res 31, 523-528 (2017). 10.1080/14786419.2016.1198348
Properties
HBA 12 HBD 3
HeavyAtoms 60 AlogP 6.11
TPSA 153.45 RotatableBonds 23
FractionCSP3 0.83 Rings 7
AromaticRings 1 AliphaticRings 6