Analyte Name

JWH 018 N-pentanoic acid Beta-D-Glucuronide

CAS Number

1307803-54-8

Molecular Formula

C30 H29 N O9

Molecular Weight

547.60

Accurate Mass

519.189

SMILES

O[C@H]1[C@H](OCCCCn2cc(C(=O)c3cccc4ccccc34)c5ccccc25)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)O

InChI

InChI=1S/C29H29NO8/c31-23(20-12-7-9-17-8-1-2-10-18(17)20)21-16-30(22-13-4-3-11-19(21)22)14-5-6-15-37-29-26(34)24(32)25(33)27(38-29)28(35)36/h1-4,7-13,16,24-27,29,32-34H,5-6,14-15H2,(H,35,36)/t24-,25-,26+,27-,29+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentanoyloxy]oxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat