TPCN02345

Name 14-benzoylaconine;Benzoylaconine
Molecular Formula C32H45NO10
Molecular Weight 603.71
CAS Registry Number 466-24-0
SMILES CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum soongaricum Whole plants 0.002308% Nat Prod Res 31, 523-528 (2017). 10.1080/14786419.2016.1198348
Ranunculaceae Aconitum sinchiangense Whole plants 0.000038% Nat Prod Res 32, 2319-2324 (2018). 10.1080/14786419.2017.1410814
Ranunculaceae Aconitum kusnezoffii Roots 0.000010% Molecules 16, 3345-3350 (2011). 10.3390/molecules16043345
Properties
HBA 11 HBD 4
HeavyAtoms 43 AlogP 0.08
TPSA 147.38 RotatableBonds 8
FractionCSP3 0.78 Rings 7
AromaticRings 1 AliphaticRings 6