Analyte Name

Naltrexone 2,3,4-Tri-O-acetyl-O-beta-D-glucuronic Acid Methyl Ester

Molecular Formula

C33H39NO13

Molecular Weight

657.66

Measured Value

1 mg/mL

Accurate Mass

657.24

SMILES

O[C@]1([C@H](N2CC3CC3)C4)[C@@]5(CC2)C6=C4C=CC(O[C@@H]7O[C@H](C(OC)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]7OC(C)=O)=C6O[C@H]5C(CC1)=O

InChI

InChI=1S/C33H39NO13/c1-15(35)42-25-26(43-16(2)36)28(44-17(3)37)31(47-27(25)30(39)41-4)45-21-8-7-19-13-22-33(40)10-9-20(38)29-32(33,23(19)24(21)46-29)11-12-34(22)14-18-5-6-18/h7-8,18,22,25-29,31,40H,5-6,9-14H2,1-4H3/t22-,25+,26+,27+,28-,29+,31-,32+,33-/m1/s1

IUPAC

(2S,3R,4S,5S,6S)-2-(((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl)oxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile