Analyte Name

Buprenorphine beta-D-Glucuronide Methyl Ester

Molecular Formula

C36H51NO10

Molecular Weight

657.79

Accurate Mass

657.35

SMILES

[H][C@@](C1)(C(C(C)(C)C)(C)O)[C@@](CC2)(OC)[C@H]3[C@]([C@@]12[C@H](N4CC5CC5)C6)(CC4)C7=C6C=CC(O[C@@H]8O[C@H](C(OC)=O)[C@@H](O)C(O)[C@H]8O)=C7O3

InChI

InChI=1S/C36H51NO10/c1-32(2,3)33(4,42)21-16-34-11-12-36(21,44-6)31-35(34)13-14-37(17-18-7-8-18)22(34)15-19-9-10-20(27(47-31)23(19)35)45-30-26(40)24(38)25(39)28(46-30)29(41)43-5/h9-10,18,21-22,24-26,28,30-31,38-40,42H,7-8,11-17H2,1-6H3/t21-,22-,24?,25+,26-,28?,30-,31-,33?,34-,35+,36?/m1/s1

IUPAC

methyl (2S,3S,5R,6S)-6-(((4R,4aS,6R,7R,7aR,12bS)-3-(cyclopropylmethyl)-6-(2-hydroxy-3,3-dimethylbutan-2-yl)-7-methoxy-1,2,3,4,5,6,7,7a-octahydro-4a,7-ethano-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat