TPCN04867

Name 3-oxolup-20(29)-en-30-al (3-oxolupenal)
Molecular Formula C30H46O2
Molecular Weight 438.70
CAS Registry Number 79875-79-9
SMILES C=C(C=O)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Stilbaceae Nuxia oppositifolia Aerial parts 0.018889% Molecules 22, (2017) 10.3390/molecules22030389
Properties
HBA 2 HBD 0
HeavyAtoms 32 AlogP 7.41
TPSA 34.14 RotatableBonds 2
FractionCSP3 0.87 Rings 5
AromaticRings 0 AliphaticRings 5