Mycophenolic Acid Beta-D-Glucuronide

分析物名称

Mycophenolic acid-beta-D-glucuronide

CAS登记号

31528-44-6

分子式

C23 H28 O12

分子量

496.46

精确质量测定

496.1581

SMILES

COc1c(C)c2COC(=O)c2c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c1C\C=C(/C)\CCC(=O)O

InChI

InChI=1S/C23H28O12/c1-9(5-7-13(24)25)4-6-11-18(32-3)10(2)12-8-33-22(31)14(12)19(11)34-23-17(28)15(26)16(27)20(35-23)21(29)30/h4,15-17,20,23,26-28H,5-8H2,1-3H3,(H,24,25)(H,29,30)/b9-4+/t15-,16-,17+,20-,23+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[[5-[(E)-5-carboxy-3-methylpent-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

备用CAS登记号

27107-52-4

存储温度

-20°C

运输温度

Room Temperature

原产国

CANADA

产品类型

Metabolite

产品形式

Neat

API家族

Mycophenolic Sodium; Mycophenolate Mofetil

Purity

>95% (HPLC)