D-Glucurono-6,3-lactone acetonide(20513-98-8) ¹H NMR

Product NameD-Glucurono-6,3-lactone acetonide

CAS 20513-98-8

Molecular FormulaC9H12O6

Molecular Weight216.19

InChIInChI=1/C9H12O6/c1-9(2)14-6-5-4(13-8(6)15-9)3(10)7(11)12-5/h3-6,8,10H,1-2H3/t3?,4-,5+,6-,8-/s3

InChIKey BDBGJSXZKMTMGP-CKFKNYFMNA-N

SmilesC1(C)(C)O[C@H]2O[C@@H]3C(C(=O)O[C@@H]3[C@H]2O1)O |&1:4,6,11,12,r|

Request For Quotation

¹HNMR

¹³CNMR

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₂ O₆	0.035 g : 0.5 ml CDCl₃
1,2-O-isopropylidene-alpha-D-glucofuranurono-gamma-lactone

    Assign.     Shift(ppm)

      A             6.007
      B             4.958
      C             4.852
      D             4.832
      E             4.571
      F             3.40
      G     *1      1.528
      J     *1      1.355
     
     ASSIGNED BY H-H AND C-H COSY.
     J(A,D)=3.7HZ
     J(B,C)=2.8HZ
     J(B,E)=4.4HZ
     J(B,J)=0.5HZ
     J(E,F)=8.9HZ

     Hz     ppm     Int.

   2402.47   6.012    253
   2398.80   6.003    262
   1985.84   4.969    134
   1985.35   4.968    136
   1983.03   4.962    155
   1982.54   4.961    164
   1981.45   4.958    159
   1980.96   4.957    153
   1978.52   4.951    169
   1978.03   4.950    168
   1940.55   4.856    270
   1937.74   4.849    245
   1933.11   4.838    258
   1929.44   4.828    262
   1833.74   4.589     68
   1829.47   4.578     75
   1825.07   4.567     83
   1820.68   4.556     73
   1364.99   3.416     93
   1356.08   3.394     92
    610.96   1.529    999
    541.87   1.356    974
    541.38   1.355   1000

in CDCl3