Analyte Name

T-2 Toxin Glucuronide

CAS Number

98760-43-1

Molecular Formula

C30 H42 O15

Molecular Weight

642.645

Accurate Mass

642.252

SMILES

CC(C)CC(=O)O[C@H]1C[C@@]2(COC(=O)C)[C@H](O[C@@H]3[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)[C@@H](OC(=O)C)[C@@]2(C)[C@]35CO5)C=C1C

InChI

InChI=1S/C30H42O15/c1-12(2)7-18(33)42-16-9-29(10-39-14(4)31)17(8-13(16)3)43-25-23(24(41-15(5)32)28(29,6)30(25)11-40-30)45-27-21(36)19(34)20(35)22(44-27)26(37)38/h8,12,16-17,19-25,27,34-36H,7,9-11H2,1-6H3,(H,37,38)/t16-,17+,19-,20-,21+,22-,23+,24+,25+,27-,28+,29+,30-/m0/s1

IUPAC

(2S,3S,4S,5R,6R)-6-[(1S,2R,4S,7R,9R,10R,11S,12S)-11-acetyloxy-2-(acetyloxymethyl)-1,5-dimethyl-4-(3-methylbutanoyloxy)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat