UR-144 N-(5-Hydroxypentyl) beta-D-Glucuronide

Analyte Name

UR-144 N-(5-hydroxypentyl) Beta-D-Glucuronide

CAS Number

1630023-01-6

Molecular Formula

C27 H37 N O8

Molecular Weight

503.60

Accurate Mass

503.252

SMILES

CC1(C)C(C(=O)c2cn(CCCCCO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c4ccccc24)C1(C)C

InChI

InChI=1S/C27H37NO8/c1-26(2)23(27(26,3)4)18(29)16-14-28(17-11-7-6-10-15(16)17)12-8-5-9-13-35-25-21(32)19(30)20(31)22(36-25)24(33)34/h6-7,10-11,14,19-23,25,30-32H,5,8-9,12-13H2,1-4H3,(H,33,34)/t19-,20-,21+,22-,25+/m0/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat