Analyte Name

methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-(4-phenylmethoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)sulfonyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]oxyoxane-2-carboxylate

Molecular Formula

13C12 C20 H24 O13 S

Molecular Weight

660.502

Accurate Mass

660.134

SMILES

COC(=O)[C@H]1O[C@@H](O[13c]2[13c][13c][13c]([13c][13c]2)S(=O)(=O)[13c]3[13c][13c][13c](OCc4ccccc4)[13c][13c]3)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C

InChI

InChI=1S/C32H24O13S/c1-19(33)41-27-28(42-20(2)34)30(43-21(3)35)32(45-29(27)31(36)39-4)44-24-12-16-26(17-13-24)46(37,38)25-14-10-23(11-15-25)40-18-22-8-6-5-7-9-22/h5-9,27-30,32H,18H2,1-4H3/t27-,28-,29-,30+,32+/m0/s1/i10+1,11+1,12+1,13+1,14+1,15+1,16+1,17+1,23+1,24+1,25+1,26+1

IUPAC

methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-(4-phenylmethoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)sulfonyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]oxyoxane-2-carboxylate

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat