TPCN03986

Name 23-hydroxyursolic acid;23-Hydroxyursolic acid
Molecular Formula C30H48O4
Molecular Weight 472.71
CAS Registry Number 94414-19-4
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lythraceae Lagerstroemia speciosa Leaves 0.001000% Phytother Res . 2009 May;23(5):614-8 10.1002/ptr.2661
Caryophyllaceae Gypsophila oldhamiana Roots 0.000194% Chem Pharm Bull (Tokyo) 55, 646-650 (2007). 10.1248/cpb.55.646
Properties
HBA 4 HBD 3
HeavyAtoms 34 AlogP 6.06
TPSA 77.76 RotatableBonds 2
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5