Analyte Name

4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol O-2,3,4-Tri-O-acetyl-beta-D-glucuronic Acid Methyl Ester

Molecular Formula

C23 H31 N3 O11

Molecular Weight

525.506

Accurate Mass

525.196

SMILES

COC(=O)[C@H]1O[C@@H](OC(CCCN(C)N=O)c2cccnc2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C

InChI

InChI=1S/C23H31N3O11/c1-13(27)33-18-19(34-14(2)28)21(35-15(3)29)23(37-20(18)22(30)32-5)36-17(9-7-11-26(4)25-31)16-8-6-10-24-12-16/h6,8,10,12,17-21,23H,7,9,11H2,1-5H3/t17?,18-,19-,20-,21+,23+/m0/s1

IUPAC

methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[4-[methyl(nitroso)amino]-1-pyridin-3-ylbutoxy]oxane-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat