Analyte Name

4-Methylumbelliferyl-b-D-xylotrioside

CAS Number

250252-60-9

Molecular Formula

C25H32O15

Molecular Weight

572.51

Accurate Mass

572.17

SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)O)O

InChI

InChI=1S/C25H32O15/c1-9-4-16(27)38-13-5-10(2-3-11(9)13)37-23-21(32)18(29)14(7-35-23)40-25-22(33)19(30)15(8-36-25)39-24-20(31)17(28)12(26)6-34-24/h2-5,12,14-15,17-26,28-33H,6-8H2,1H3/t12-,14-,15-,17+,18+,19+,20-,21-,22-,23+,24+,25+/m1/s1

IUPAC

7-(((2S,3R,4R,5R)-5-(((2S,3R,4R,5R)-3,4-dihydroxy-5-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-4-methyl-2H-chromen-2-on

Country of Origin

CANADA

Product Format

Neat