Analyte Name

4-Chloro-2-methyl-5-(methylsulfonyl)-benzoic Acid Methyl Ester

CAS Number

176308-95-5

Molecular Formula

C34 H42 N2 O16

Molecular Weight

734.701

Accurate Mass

734.253

SMILES

CC(=O)NC1C(CC(COC(=O)C)O[C@H]1O[C@H]2C(COC(=O)C)O[C@@H](Oc3ccc4C(=CC(=O)Oc4c3)C)C(NC(=O)C)C2OC(=O)C)OC(=O)C

InChI

InChI=1S/C34H42N2O16/c1-15-10-28(43)50-25-11-22(8-9-24(15)25)48-34-30(36-17(3)38)32(47-21(7)42)31(27(51-34)14-45-19(5)40)52-33-29(35-16(2)37)26(46-20(6)41)12-23(49-33)13-44-18(4)39/h8-11,23,26-27,29-34H,12-14H2,1-7H3,(H,35,37)(H,36,38)/t23?,26?,27?,29?,30?,31-,32?,33-,34+/m0/s1

IUPAC

[(6S)-5-acetamido-6-[(3R,6S)-5-acetamido-4-acetyloxy-2-(acetyloxymethyl)-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]oxy-4-acetyloxyoxan-2-yl]methyl acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat