Sucrose octaacetate(126-14-7) IR1

Molecular FormulaC28H38O19

Molecular Weight678.59

InChIInChI=1/C28H38O19/c1-12(29)37-9-20-22(40-15(4)32)24(42-17(6)34)25(43-18(7)35)27(45-20)47-28(11-39-14(3)31)26(44-19(8)36)23(41-16(5)33)21(46-28)10-38-13(2)30/h20-27H,9-11H2,1-8H3/t20-,21-,22-,23-,24+,25-,26+,27-,28+/s3

InChIKey ZIJKGAXBCRWEOL-RHAXOHLKNA-N

SmilesO([C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)[C@@]1(O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C)COC(=O)C |&1:1,3,9,14,19,24,26,32,37,r|

Request For Quotation

    Assign.     Shift(ppm)

      A             5.691
      B             5.452
      C             5.450
      D             5.374
      E             5.080
      F             4.877
      G             4.33
      J             4.30
      K             4.22
      L             4.174
      M             4.16
      N     *1      2.179
      P     *1      2.119
      Q     *1      2.113
      R     *1      2.102
      S     *1      2.101
      T     *1      2.047
      U     *1      2.020
     
     ASSIGNED BY H-H COSY

Spectral Code: 1H NMR : 400 MHz in CDCl3

       ppm   Int.  Assign.

      170.64   112      1 *
      170.42   140      2 *
      170.06   297      3 *
                        4 *
      169.98   209      5 *
      169.84   176      6 *
      169.62   169      7 *
      169.47   213      8 *
      104.09   260      9
       90.08   307     10
       79.23   307     11
       75.87   350     12
       75.16   331     13
       70.40   304     14 #
       69.76   305     15 #
       68.62   292     16 #
       68.40   282     17 #
       63.71   319     18
       63.00   260     19
       61.86   295     20
       20.60  1000     21
     
     ASSIGNED BY C-H COSY.

Spectral Code: 13C NMR : in CDCl3