TPCN02771

Name Puberudine
Molecular Formula C23H35NO7
Molecular Weight 437.53
CAS Registry Number 1379670-71-9
SMILES C=CC1(O)CN(CC)C2C3(C=O)C4CC5C(OC)CC(O)(C4C5OC)C2(O)C(OC)C13
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum barbatum Roots 0.000285% Org Lett 14, 2758-2761 (2012). 10.1021/ol3008217
Properties
HBA 8 HBD 3
HeavyAtoms 31 AlogP -0.40
TPSA 108.69 RotatableBonds 6
FractionCSP3 0.87 Rings 5
AromaticRings 0 AliphaticRings 5