Diethyl Stilbestrol beta-D-Glucuronide
Product Code
TRC-D445020-10MG
CAS Number
Product Format
Neat
Molecular Formula
C24 H28 O8
Molecular Weight
444.47
Product Categories
Product Type
MetaboliteProduct Information
Analyte Name
Diethylstilbestrol beta-D-Glucuronide
CAS Number
2408-40-4
Molecular Formula
C24 H28 O8
Molecular Weight
444.47
Accurate Mass
444.1784
SMILES
CC\C(=C(\CC)/c1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)cc1)\c3ccc(O)cc3
InChI
InChI=1S/C24H28O8/c1-3-17(13-5-9-15(25)10-6-13)18(4-2)14-7-11-16(12-8-14)31-24-21(28)19(26)20(27)22(32-24)23(29)30/h5-12,19-22,24-28H,3-4H2,1-2H3,(H,29,30)/b18-17+/t19-,20-,21+,22-,24+/m0/s1
IUPAC
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]oxane-2-carboxylic acid
Storage Temperature
-20°C
Shipping Temperature
Cold Room (2-8 C)
Country of Origin
CANADA
Product Type
Metabolite
Product Format
Neat