1-Hydroxypyrene Beta-D-Glucuronide (1.0 mg/mL in Methanol)

Analyte Name

1-Hydroxypyrene beta-D-Glucuronide

CAS Number

154717-05-2

Molecular Formula

C22 H18 O7

Molecular Weight

394.37

Measured Value

1.0 mg/mL

Accurate Mass

394.1053

SMILES

O[C@H]1[C@H](Oc2ccc3ccc4cccc5ccc2c3c45)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)O

InChI

InChI=1S/C22H18O7/c23-17-18(24)20(21(26)27)29-22(19(17)25)28-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17-20,22-25H,(H,26,27)/t17-,18-,19+,20-,22+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-pyren-1-yloxyoxane-2-carboxylic acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Methanol