24502-78-1

ACETYLSHIKONIN(24502-78-1) IR1

Molecular FormulaC18H18O6

Molecular Weight330.33

InChIInChI=1S/C18H18O6/c1-9(2)4-7-15(24-10(3)19)11-8-14(22)16-12(20)5-6-13(21)17(16)18(11)23/h4-6,8,15,20-21H,7H2,1-3H3/t15-/m1/s1

InChIKey WNFXUXZJJKTDOZ-OAHLLOKOSA-N

SmilesC1(=O)C2=C(C(O)=CC=C2O)C(=O)C=C1[C@H](OC(C)=O)C/C=C(/C)\C

Request For Quotation

¹HNMR

¹³CNMR

IR1

ACETYLSHIKONIN(24502-78-1) IR1

    Assign.     Shift(ppm)

      A     *1     12.6
      B     *1     12.4
      C             7.174
      D             6.991
      E             6.023
      F             5.216
      G     *2      2.619
      J     *2      2.476
      K             2.147
      L             1.694
      M             1.580

Spectral Code: 1H NMR : 400 MHz in CDCl3

ACETYLSHIKONIN(24502-78-1) IR1

       ppm   Int.  Assign.

      178.26   640      1 *
      176.76   507      2 *
      169.79   596      3
      167.39   684      4 #
      166.86   685      5 #
      148.22   665      6
      136.11   733      7
      132.85   889      8 *1
      132.69   939      9 *1
      131.47   809     10
      117.69  1000     11
      111.80   393     12 #1
      111.54   376     13 #1
       69.52   905     14
       32.82   805     15
       25.78   922     16 *2
       20.99   732     17
       17.95   786     18 *2

Spectral Code: 13C NMR : in CDCl3