BERBERINE CHLORIDE(141433-60-5) ¹H NMR

Molecular FormulaC20H20ClNO5

Molecular Weight389.83

InChIInChI=1S/C20H18NO4.ClH/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H/q+1;/p-1

InChIKey VKJGBAJNNALVAV-UHFFFAOYSA-M

SmilesC12C=C3C(C(OC)=C(OC)C=C3)=C[N+]=1CCC1=CC3OCOC=3C=C21.[Cl-]

Request For Quotation

¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A             9.878
      B             8.950
      C             8.180
      D             8.018
      E             7.785
      F             7.065
      G             6.159
      J             4.958
      K     *1      4.116
      L     *1      4.073
      M             3.22
     
     ASSIGNED BY H-H AND C-H COSY.
     J(C,D)=9.2HZ

Spectral Code: 1H NMR : 400 MHz in DMSO-d6 at 50C

       ppm   Int.  Assign.

      150.33   821      1
      149.87   833      2
      147.72   894      3
      145.34   478      4
      143.97   684      5
      137.55   583      6
      133.24   871      7
      130.61  1000      8
      127.13   775      9
      123.42   817     10
      121.46   792     11
      120.40   848     12
      120.21   807     13
      108.34   747     14
      105.46   759     15
      102.00   684     16
       61.92   830     17
       57.26   914     18
       55.29   574     19
       26.44   664     20
     
     CONFIRMED BY C-H COSY.

Spectral Code: 13C NMR : in DMSO-d6 at 65C