Analyte Name

[2-[(E)-[4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methylphenyl]-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]sulfonyloxysodium

Molecular Formula

C29 H30 N Na O10 S

Molecular Weight

607.604

Accurate Mass

607.149

SMILES

CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2ccc(\C(=C/3\C=CC(=O)C=C3C)\c4ccccc4S(=O)(=O)O[Na])c(C)c2

InChI

InChI=1S/C29H31NO10S.Na/c1-15-12-18(33)8-10-20(15)25(22-6-4-5-7-24(22)41(36,37)38)21-11-9-19(13-16(21)2)39-29-26(30-17(3)32)28(35)27(34)23(14-31)40-29;/h4-13,23,26-29,31,34-35H,14H2,1-3H3,(H,30,32)(H,36,37,38);/q;+1/p-1/b25-20+;/t23-,26-,27-,28-,29-;/m1./s1

IUPAC

[2-[(E)-[4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-methylphenyl]-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]sulfonyloxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat