Beta-D-glucopyranosepentabenzoate, CAS:14679-57-3

1,2,3,4,6-Penta-O-benzoyl-b-D-glucopyranose is a synthetic substrate that has been validated for use in heparin assays. It is an inhibitor of the enzyme sulfate protease and can be used to study the role of this enzyme in inflammation. 1,2,3,4,6-Penta-O-benzoyl-b-D-glucopyranose has also been shown to inhibit the activity of neutrophils (a type of white blood cell) and monocytes (a type of white blood cell). This compound has been shown to have antitumor activity as well as antiinflammatory activities. CAS Number 14679-57-3 Product Name 1,2,3,4,6-PENTA-O-BENZOYL-beta-D-GLUCOPYRANOSE IUPAC Name [(2R,3R,4S,5R,6S)-3,4,5,6-tetrabenzoyloxyoxan-2-yl]methyl benzoate Molecular Formula C41H32O11 Molecular Weight 700.686 g/mol InChI InChI=1S/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32-33(49-37(43)28-18-8-2-9-19-28)34(50-38(44)29-20-10-3-11-21-29)35(51-39(45)30-22-12-4-13-23-30)41(48-32)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2/t32-,33-,34+,35-,41+/m1/s1 InChI Key JJNMLNFZFGSWQR-WJZQQGDTSA-N SMILES C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6 Canonical SMILES C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6 Isomeric SMILES C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6