3-O-Acetyl-betulinic acid

CAS: 10376-50-8

Ref. TR-A171023

Informação sobre produto

• Nome: 3-O-Acetyl-betulinic acid
• Sinónimos: (3β)-3-(Acetyloxy)lup-20(29)-en-28-oic Acid, 3aH-Cyclopenta[a]chrysene, lup-20(29)-en-28-oic acid deriv., 3-Acetylbetulinic Acid, 3-O-Acetylbetulinic Acid, 3β-Acetoxy-lup-20(29)-en-28-oic Acid, 3β-Acetoxybetulinic Acid, Acetobetulinic Acid, Acetylbetulinic Acid, Betulic Acid Acetate, Betulinic Acid 3-O-Acetate Betulinic acid acetate MJ 321-RS Mairin
• Marca: TRC
• Descrição: Applications 3-O-Acetyl-betulinic acid is a betulinic acid derivative that shows cytotoxic activity on human cancer cell lines. Anti-cancer.References Spivak, A. et al.: Med. Chem. Res., 26, 518 (2017); Ding, W. et al.: Anti-Cancer Agents Med. Chem., 17, 566 (2017)

Propriedades químicas

• Peso molecular: 498.74
• Fórmula: C₃₂H₅₀O₄
• Cor/forma: Neat
• InChI: InChI=1S/C32H50O4/c1-19(2)21-11-16-32(27(34)35)18-17-30(7)22(26(21)32)9-10-24-29(6)14-13-25(36-20(3)33)28(4,5)23(29)12-15-31(24,30)8/h21-26H,1,9-18H2,2-8H3,(H,34,35)/t21-,22+,23-,24+,25-,26+,29-,30+,31+,32-/m0/s1
• Chave InChI: InChIKey=ACWNTJJUZAIOLW-CKMRMFJYSA-N
• SMILES: C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12