Analyte Name

Naloxol 3-beta-D-Glucuronide

CAS Number

24326-39-4

Molecular Formula

C25 H31 N O10

Molecular Weight

505.51

Accurate Mass

505.1948

SMILES

O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(OC5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O)c6O[C@@H]1[C@]2(CCN3CC=C)c46

InChI

InChI=1S/C25H31NO10/c1-2-8-26-9-7-24-15-11-3-4-13(34-23-18(30)16(28)17(29)20(36-23)22(31)32)19(15)35-21(24)12(27)5-6-25(24,33)14(26)10-11/h2-4,12,14,16-18,20-21,23,27-30,33H,1,5-10H2,(H,31,32)/t12-,14-,16+,17+,18-,20+,21+,23?,24+,25-/m1/s1

IUPAC

(2S,3S,4S,5R)-6-[[(4R,4aS,7R,7aR,12bS)-4a,7-dihydroxy-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile