TPCN05400

Name Lupeol-3-acetate
Molecular Formula C32H52O2
Molecular Weight 468.77
CAS Registry Number 1617-68-1
SMILES C=C(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Manilkara zapota Fruits 0.001500% Pharmacognosy Res. 2013. 5, 55-59. 10.4103/0974-8490.110505.
Properties
HBA 2 HBD 0
HeavyAtoms 34 AlogP 8.60
TPSA 26.30 RotatableBonds 2
FractionCSP3 0.91 Rings 5
AromaticRings 0 AliphaticRings 5