Analyte Name

Rhein Acyl-beta-D-glucuronide

CAS Number

190605-03-9

Molecular Formula

C21 H16 O12

Molecular Weight

460.344

Accurate Mass

460.064

SMILES

O[C@@H]1[C@@H](O)[C@H](OC(=O)c2cc(O)c3C(=O)c4c(O)cccc4C(=O)c3c2)O[C@@H]([C@H]1O)C(=O)O

InChI

InChI=1S/C21H16O12/c22-9-3-1-2-7-11(9)14(25)12-8(13(7)24)4-6(5-10(12)23)20(31)33-21-17(28)15(26)16(27)18(32-21)19(29)30/h1-5,15-18,21-23,26-28H,(H,29,30)/t15-,16-,17+,18-,21-/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-(4,5-dihydroxy-9,10-dioxoanthracene-2-carbonyl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat