echinopine A (0.29Hz/15)


FRACTIONS (manually entered): 0.522 0.478 (major structure is shown)
Rel. DFT Energies (kcal/mol): 0.000 0.151
Gaussian numbering
1H-1H Js
 -ppm- -#-   H5    H6    H7    H8    H11   H16   H18   H20   H21   H23   H25   H26   H27   H28   H29   H30   H31   H32   H33   H37   
  2.71 H5 
  0.44 H6     - 
  1.38 H7    3.0    - 
  2.26 H8    3.7    -  -13.6
  4.97 H11    -     -     -     - 
  2.46 H16    -     -     -     -     - 
  1.58 H18   0.6    -     -     -     -    0.6
  1.53 H20   7.7    -     -    1.6    -    7.1 -13.5
  3.03 H21    -    0.6    -     -     -    9.2    -     - 
  1.94 H23    -     -     -     -     -     -    0.6    -     - 
  2.26 H25   0.6    -    4.6   2.9    -     -     -     -    1.3    - 
  0.77 H26    -   -6.3    -     -     -     -     -     -     -     -     - 
  2.27 H27    -     -   13.4   4.6  -0.9    -     -     -     -     -  -13.1    - 
  2.27 H28    -     -     -     -     -     -     -     -    9.8    -     -     -     - 
  1.81 H29    -     -     -     -     -     -     -     -    3.7    -     -     -     -  -14.1
  2.12 H30   1.3    -     -     -     -     -     -     -     -     -     -     -     -   11.3   8.8
  4.92 H31    -     -     -     -    2.3    -     -     -     -     -     -     -     -     -     -     - 
  1.58 H32    -     -     -     -     -     -    0.7    -     -     -     -     -     -    2.4   9.8 -13.2    - 
  2.76 H33    -     -     -     -     -     -     -     -     -  -15.2    -    1.7    -     -     -     -     -     - 
  5.67 H37    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
1H data (JH-H abs sorted)

5.67
4.97 (2.3, 0.9)
4.92 (2.3)
3.03 (9.8, 9.2, 1.3, 0.6)
2.76 (15.2, 1.7)
2.71 (7.7, 3.7, 3.0, 0.6)
2.46 (9.2, 7.1, 0.6)
2.27 (13.4, 13.1, 4.6, 0.9)
2.27 (14.1, 11.3, 9.8, 2.4)
2.26 (13.6, 3.7, 2.9, 1.6)
2.26 (4.6, 2.9, 1.3, 0.6)
2.12 (13.2, 11.3, 8.8, 1.3)
1.94 (15.2, 0.6)
1.81 (14.1, 9.8, 8.8, 3.7)
1.58 (13.5, 0.6, 0.6, 0.6)
1.58 (13.2, 9.8, 2.4, 0.7)
1.53 (13.5, 7.7, 7.1, 1.6)
1.38 (13.6, 13.4, 4.6, 3.0)
0.77 (6.3, 1.7)
0.44 (6.3, 0.6)
13C data
 34 173.5
  4 158.4
 22 113.4
 15  51.0
 13  50.7
  9  44.1
  1  42.3
 10  33.5
  2  33.0
  3  32.8
 19  31.5
 17  30.3
 24  30.2
 14  27.5
 12  16.3