TPCN02677

Name 14-acetylsachaconite
Molecular Formula C25H39NO5
Molecular Weight 433.59
CAS Registry Number 102719-98-2
SMILES CCN1CC2(C)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6OC(C)=O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum hemsleyanum Roots 0.000400% Nat Prod Res, 1-6 (2019). 10.1080/14786419.2018.1560292
Properties
HBA 6 HBD 1
HeavyAtoms 31 AlogP 2.48
TPSA 68.23 RotatableBonds 4
FractionCSP3 0.96 Rings 6
AromaticRings 0 AliphaticRings 6