mitchellene B (0.30Hz/20)


Gaussian numbering
1H-1H Js
 -ppm- -#-   H16   H18   H20   H21   H22   H23   H24   H25   H26   H27   H28   H29   H30   H31   H32   H33   H34   H35   H36   H37   
  4.69 H16
  1.06 H18    - 
  3.15 H20   7.1    - 
  1.71 H21    -   11.4   6.2
  1.83 H22    -     -     -     - 
  2.24 H23    -     -     -    4.5   4.6
  6.74 H24    -     -   -3.0    -    0.7    - 
  2.44 H25    -     -    4.1    -     -    8.4   3.0
  2.08 H26    -     -    3.5    -     -    8.7   5.5 -21.3
  1.87 H27    -    3.5    -     -     -    0.8    -     -     - 
  0.97 H28    -   11.6    -     -     -     -     -     -     -  -12.1
  1.58 H29    -     -     -     -    3.8   0.7    -     -     -    2.7   3.5
  1.27 H30    -     -     -     -   12.3    -     -     -     -    3.9  12.3 -13.5
  1.58 H31   7.1  11.3    -     -     -     -     -     -     -     -     -     -     - 
  1.09 H32    -     -     -     -     -     -     -     -     -     -     -     -     -    7.0
  1.09 H33    -     -     -     -     -     -     -     -     -     -     -     -     -    7.0    - 
  1.09 H34    -     -     -     -     -     -     -     -     -     -     -     -     -    7.0    -     - 
  1.06 H35    -     -     -     -    7.0    -     -     -     -     -     -     -     -     -     -     -     - 
  1.06 H36    -     -     -     -    7.0    -     -     -     -     -     -     -     -     -     -     -     -     - 
  1.06 H37    -     -     -     -    7.0    -     -     -     -     -     -     -     -     -     -     -     -     -     - 

13C-1H Js
 -ppm- -#-   H16   H18   H20   H21   H22   H23   H24   H25   H26   H27   H28   H29   H30   H31   H32   H33   H34   H35   H36   H37   
139.22 C1     -     -    5.5    -     -    1.0 163.7  -8.4  -8.3    -     -     -     -     -     -     -     -     -     -     - 
131.54 C2    2.0    -   -7.4   5.9    -     -   -1.8   5.8   7.7    -     -     -     -     -     -     -     -     -     -     - 
 44.20 C3   -1.1   1.5 140.3  -3.8    -    1.7   7.1  -1.1  -1.1    -     -     -     -    0.6    -     -     -     -     -     - 
 46.75 C4    1.4  -3.9  -2.7 128.7   1.7  -4.5  -0.7   3.7   1.6   7.8   2.4    -     -    1.2    -     -     -     -     -     - 
 34.49 C5     -    2.2   0.9  -2.9  -3.6 128.4   5.9  -3.3  -4.1    -     -    7.3   1.8    -     -     -     -    4.3   4.3   4.3
 24.55 C6     -     -   -1.3   5.4   6.3  -3.6   3.7 131.5 125.3    -     -     -     -     -     -     -     -     -     -     - 
 41.51 C7    4.7 124.4   4.8  -3.6    -    5.9    -     -     -   -3.8  -3.8   7.8   2.2  -4.0   4.8   4.8   4.8    -     -     - 
 28.73 C8     -   -3.5    -    3.0   2.0    -     -     -     -  129.9 124.8  -3.4  -3.7   3.1    -     -     -     -     -     - 
 29.82 C9     -    2.5    -     -   -4.0   5.2    -     -     -   -3.7  -3.6 129.6 123.5    -     -     -     -    5.0   5.0   5.0
 36.58 C10    -     -     -    1.6 125.2  -4.1    -    0.6   4.3   7.0   1.7  -3.3  -4.1    -     -     -     -   -3.7  -3.7  -3.7
 81.51 C11 158.7   1.1  -2.3    -     -     -     -     -    0.6    -     -     -     -   -1.7   4.4   4.4   4.4    -     -     - 
 46.83 C12    -   -4.1   4.5   1.7    -     -     -     -     -    1.1   2.1   0.8    -  125.4  -4.1  -4.1  -4.1    -     -     - 
168.53 C13   4.5    -    1.5    -     -     -    5.6  -2.0  -0.9    -     -     -     -     -     -     -     -     -     -     - 
 10.35 C17    -    3.5    -     -     -     -     -     -     -     -     -     -     -   -4.3 128.3 128.3 128.3    -     -     - 
 17.58 C19    -     -     -     -   -4.3   1.8    -     -     -     -     -    2.1   2.4    -     -     -     -  126.4 126.4 126.4
 -ppm- -#-   H16   H18   H20   H21   H22   H23   H24   H25   H26   H27   H28   H29   H30   H31   H32   H33   H34   H35   H36   H37   
1H data (JH-H abs sorted)

6.74 (5.5, 3.0, 3.0, 0.7)
4.69 (7.1, 7.1)
3.15 (7.1, 6.2, 4.1, 3.0)
2.44 (21.3, 8.4, 4.1, 3.0)
2.24 (8.7, 8.4, 4.6, 4.5)
2.08 (21.3, 8.7, 5.5, 3.5)
1.87 (12.1, 3.5, 2.7, 0.8)
1.83 (12.3, 4.6, 3.8, 0.7)
1.71 (11.4, 6.2, 4.5)
1.58 (3.8, 3.5, 2.7, 0.7)
1.58 (11.3, 7.1, 7.0, 7.0)
1.27 (13.5, 12.3, 12.3, 3.9)
1.09 (7.0)
1.06 (11.6, 11.4, 11.3, 3.5)
1.06 (7.0)
0.97 (12.3, 12.1, 11.6, 3.5)
13C data
 13 168.5 (5.6, 4.5, -2.0, 1.5)
  1 139.2 (163.7, -8.4, -8.3, 5.5)
  2 131.5 (7.7, -7.4, 5.9, 5.8)
 11  81.5 (158.7, 4.4, 4.4, 4.4)
 12  46.8 (125.4, 4.5, -4.1, -4.1)
  4  46.7 (128.7, 7.8, -4.5, -3.9)
  3  44.2 (140.3, 7.1, -3.8, 1.7)
  7  41.5 (124.4, 7.8, 5.9, 4.8)
 10  36.6 (125.2, 7.0, 4.3, -4.1)
  5  34.5 (128.4, 7.3, 5.9, 4.3)
  9  29.8 (129.6, 123.5, 5.2, 5.0)
  8  28.7 (129.9, 124.8, -3.7, -3.5)
  6  24.5 (131.5, 125.3, 6.3, 5.4)
 19  17.6 (126.4, 126.4, 126.4, -4.3)
 17  10.4 (128.3, 128.3, 128.3, -4.3)