18alpha-Glycyrrhetinic Acid 3-O-beta-D-Glucuronide

CAS: 400870-85-1

Ref. TR-G735155

Informação sobre produto

• Nome: 18alpha-Glycyrrhetinic Acid 3-O-beta-D-Glucuronide
• Sinónimos: (3beta,18alpha,20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl-beta-D-glucopyranosiduronic Acid
• CAS: 400870-85-1

Descrição

Applications 18α-Glycyrrhetinic Acid 3-O-β-D-Glucuronide is a metabolite of 18α-Glycyrrhetinic Acid (G735005), an anti-inflammatory which also rapidly and reversibly blocks gap junction intercellular communication (GJIC).
References Guo, Y., et. al.: Am. J. Phys.: 276, L1018 (1999)

• Marca: TRC

Propriedades químicas

• Peso molecular: 646.81
• Fórmula: C₃₆H₅₄O₁₀
• Cor/forma: Neat
• InChI: InChI=1S/C36H54O10/c1-31(2)21-8-11-36(7)27(34(21,5)10-9-22(31)45-29-25(40)23(38)24(39)26(46-29)28(41)42)20(37)16-18-19-17-33(4,30(43)44)13-12-32(19,3)14-15-35(18,36)6/h16,19,21-27,29,38-40H,8-15,17H2,1-7H3,(H,41,42)(H,43,44)/t19-,21+,22+,23+,24+,25-,26+,27-,29-,32-,33+,34+,35-,36-/m1/s1
• Chave InChI: InChIKey=HLDYLAJAWSKPFZ-QHTHLUDZSA-N
• SMILES: CC1(C)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C