Analyte Name

Oxybenzone beta-D-Glucuronide-13C6

Molecular Formula

13C6 C14 H20 O9

Molecular Weight

410.323

Accurate Mass

410.131

SMILES

CO[13c]1[13cH][13cH][13c]([13c](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)[13cH]1)C(=O)c3ccccc3

InChI

InChI=1S/C20H20O9/c1-27-11-7-8-12(14(21)10-5-3-2-4-6-10)13(9-11)28-20-17(24)15(22)16(23)18(29-20)19(25)26/h2-9,15-18,20,22-24H,1H3,(H,25,26)/t15-,16-,17+,18-,20+/m0/s1/i7+1,8+1,9+1,11+1,12+1,13+1

IUPAC

(2S,3S,4S,5R,6S)-6-(2-benzoyl-5-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat