3-Oxobetulin

3-Oxobetulin is a pentacyclic triterpenoid and derivative of betulinic acid (Cay-11686) that has been found in I. macropoda and has diverse biological activities. 3-Oxobetulin reduces HIV-1 replication in MT-2 cells (IC50 = 4.1 µM) with a 50% cytotoxic concentration (CC50) value of greater than 100 µM. It inhibits cadmium-induced cytotoxicity in HepG2 cells in a concentration-dependent manner.Formal Name: 28-hydroxy-lup-20(29)-en-3-one. CAS Number: 7020-34-0. Synonyms: Betulone. Molecular Formula: C30H48O2. Formula Weight: 440.7. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 30 mg/ml, DMSO: 10 mg/ml, Ethanol: 10 mg/ml. SMILES: C[C@]1([C@]2([C@]([C@@]3([C@@](C(C)(C(CC3)=O)C)([H])CC2)C)([H])CC4)C)[C@@]4([H])[C@]([C@@H](CC5)C(C)=C)([H])[C@@]5(CO)CC1. InChi Code: InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-23,25,31H,1,8-18H2,2-7H3/t20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1. InChi Key: JYDNKGUBLIKNAM-CNRMHUMKSA-N. Origin: Semisynthetic.