6-(4-Methylumbelliferyl) Chitotriose O-Heptacetate

Analyte Name

6-(4-Methylumbelliferyl) Chitotriose O-Heptacetate

Molecular Formula

C48 H61 N3 O25

Molecular Weight

1080.003

Accurate Mass

1079.359

SMILES

CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](COC(=O)C)O[C@@H](Oc3ccc4C(=CC(=O)Oc4c3)C)[C@H](NC(=O)C)[C@H]2OC(=O)C)O[C@H](COC(=O)C)[C@@H](O[C@@H]5O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]5NC(=O)C)[C@@H]1OC(=O)C

InChI

InChI=1S/C48H61N3O25/c1-19-14-36(62)71-32-15-30(12-13-31(19)32)70-46-37(49-20(2)52)44(68-28(10)60)41(34(72-46)17-64-24(6)56)75-48-39(51-22(4)54)45(69-29(11)61)42(35(74-48)18-65-25(7)57)76-47-38(50-21(3)53)43(67-27(9)59)40(66-26(8)58)33(73-47)16-63-23(5)55/h12-15,33-35,37-48H,16-18H2,1-11H3,(H,49,52)(H,50,53)(H,51,54)/t33-,34-,35-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47+,48+/m1/s1

IUPAC

[(2R,3S,4R,5R,6S)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4-acetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4-acetyloxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-2-yl]methyl acetate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat