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Product Overview

Product Code

TRC-C255950

CAS Number

17690-94-7

Product Format

Neat

Molecular Formula

C40 H54 O27

Molecular Weight

966.84

Product Categories

TRC

Documentation

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Product Information

Chemical Data

Analyte Name

D-Cellotriose Undecaacetate

CAS Number

17690-94-7

Molecular Formula

C40 H54 O27

Molecular Weight

966.84

Accurate Mass

966.2852

SMILES

CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](COC(=O)C)OC(OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1O[C@@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C

InChI

InChI=1S/C40H54O27/c1-15(41)52-12-26-29(55-18(4)44)32(56-19(5)45)36(60-23(9)49)39(64-26)67-31-28(14-54-17(3)43)65-40(37(61-24(10)50)34(31)58-21(7)47)66-30-27(13-53-16(2)42)63-38(62-25(11)51)35(59-22(8)48)33(30)57-20(6)46/h26-40H,12-14H2,1-11H3/t26-,27-,28-,29-,30-,31-,32+,33+,34+,35-,36-,37-,38?,39+,40+/m1/s1

IUPAC

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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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