Analyte Name

Bexarotene Acyl-beta-D-glucuronide

CAS Number

198700-33-3

Molecular Formula

C30 H36 O8

Molecular Weight

524.602

Accurate Mass

524.241

SMILES

Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)C(C)(C)CCC2(C)C

InChI

InChI=1S/C30H36O8/c1-15-13-20-21(30(5,6)12-11-29(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)27(36)38-28-24(33)22(31)23(32)25(37-28)26(34)35/h7-10,13-14,22-25,28,31-33H,2,11-12H2,1,3-6H3,(H,34,35)/t22-,23-,24+,25-,28-/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoyl]oxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat