TPCN03068

Name Condelphine
Molecular Formula C25H39NO6
Molecular Weight 449.59
CAS Registry Number 7633-69-4
SMILES CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6OC(C)=O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum hemsleyanum Roots 0.000080% Nat Prod Res, 1-6 (2019). 10.1080/14786419.2018.1560292
Properties
HBA 7 HBD 2
HeavyAtoms 32 AlogP 1.45
TPSA 88.46 RotatableBonds 5
FractionCSP3 0.96 Rings 6
AromaticRings 0 AliphaticRings 6