分析物名称

3,4,5-Tris(pivaloxy) 6-Hydroxymethyl Canagliflozin

分子式

C39 H49 F O8 S

分子量

696.865

精确质量测定

696.313

SMILES

Cc1ccc(cc1Cc2ccc(s2)c3ccc(F)cc3)[C@@H]4O[C@H](CO)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]4OC(=O)C(C)(C)C

InChI

InChI=1S/C39H49FO8S/c1-22-11-12-24(19-25(22)20-27-17-18-29(49-27)23-13-15-26(40)16-14-23)30-32(47-35(43)38(5,6)7)33(48-36(44)39(8,9)10)31(28(21-41)45-30)46-34(42)37(2,3)4/h11-19,28,30-33,41H,20-21H2,1-10H3/t28-,30+,31-,32+,33+/m1/s1

IUPAC

[(2R,3R,4R,5S,6S)-4,5-bis(2,2-dimethylpropanoyloxy)-6-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-2-(hydroxymethyl)oxan-3-yl] 2,2-dimethylpropanoate

运输温度

Room Temperature

原产国

CANADA

产品形式

Neat