TPCN04304

[object Object]
Name Ursolic acid;3-O-acetyl ursolic acid
Molecular Formula C32H50O4
Molecular Weight 498.75
CAS Registry Number 7372-30-7
SMILES CC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4C(C)C(C)CCC4(C(=O)O)CCC23C)C1(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Gentianaceae Megacodon stylophorus Whole plants 0.001930% Planta Med 80(11): 936-941. 10.1055/s-0034-1368612
Ericaceae Rhododendron dauricum Leaves 0.001261% Nat Prod Res: 1-7. 10.1080/14786419.2019.1566822
Rosaceae Chaenomeles sinensis Fruits 0.001000% Planta Med 69(4): 327-331. 10.1055/s-2003-38884
Rosaceae Chaenomeles speciosa Fruits 0.000760% J Asian Nat Prod Res. 2008 Mar-Apr;10(3-4):217-22. 10.1080/10286020701395370.
Verbenaceae Verbena littoralis Aerial parts 0.000270% J Nat Prod 66(5): 696-698. 10.1021/np020577p
Properties
HBA 4 HBD 1
HeavyAtoms 36 AlogP 7.66
TPSA 63.60 RotatableBonds 2
FractionCSP3 0.88 Rings 5
AromaticRings 0 AliphaticRings 5