mitchellene A (0.28Hz/22)


Gaussian numbering
1H-1H Js
 -ppm- -#-   H16   H18   H20   H21   H23   H24   H25   H26   H27   H28   H29   H30   H31   H32   H33   H34   H35   H36   H37   H38   
  4.73 H16
  1.05 H18    - 
  3.10 H20   7.1    - 
  2.53 H21    -   11.7   6.3
  1.73 H23    -     -     -    4.7
  6.69 H24    -     -   -3.0    -     - 
  2.58 H25    -     -    4.1    -    8.4   3.0
  1.92 H26    -     -    3.5    -    8.7   5.5 -21.0
  1.62 H27    -    3.6    -     -    0.8    -     -     - 
  1.58 H28    -   12.0    -     -     -     -     -     -  -12.1
  1.80 H29    -     -     -     -    1.5    -     -     -    2.5   3.7
  1.43 H30    -     -     -     -     -     -     -     -    4.3  12.5 -13.6
  1.67 H31   7.1  11.2    -     -     -     -     -     -     -     -     -     - 
  1.10 H32    -     -     -     -     -     -     -     -     -     -     -     -    7.0
  1.10 H33    -     -     -     -     -     -     -     -     -     -     -     -    7.0    - 
  1.10 H34    -     -     -     -     -     -     -     -     -     -     -     -    7.0    -     - 
  1.23 H35    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  1.23 H36    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  1.23 H37    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
 -0.10 H38    -     -     -     -     -     -     -     -     -     -     -    1.7    -     -     -     -     -     -     - 

13C-1H Js
 -ppm- -#-   H16   H18   H20   H21   H23   H24   H25   H26   H27   H28   H29   H30   H31   H32   H33   H34   H35   H36   H37   H38   
137.97 C1     -     -    5.5    -    1.0 164.3  -8.3  -8.4    -     -     -     -     -     -     -     -     -     -     -     - 
132.27 C2    2.0    -   -7.4   6.2    -   -1.9   5.8   7.6    -     -     -     -     -     -     -     -     -     -     -     - 
 44.00 C3   -1.1   1.5 140.0  -3.7   1.5   7.0  -1.1  -1.1    -     -     -     -    0.6    -     -     -     -     -     -     - 
 41.05 C4    1.4  -4.0  -2.6 133.7  -4.2  -0.6   3.6   1.5   7.7   2.2    -     -    1.2    -     -     -     -     -     -     - 
 43.66 C5     -    2.3   0.9  -3.4 125.8   5.9  -3.3  -4.1    -     -    5.4   0.7    -     -     -     -    3.3   3.3   3.3    - 
 27.34 C6     -     -   -1.4   5.5  -3.9   3.9 131.8 125.6    -     -     -     -     -     -     -     -     -     -     -     - 
 41.36 C7    4.7 123.6   4.9  -3.7   5.7    -     -     -   -3.9  -3.8   7.7   2.1  -4.0   4.8   4.8   4.8    -     -     -     - 
 24.40 C8     -   -3.6    -    2.9    -     -     -     -  129.4 129.7  -3.2  -3.9   3.1    -     -     -     -     -     -     - 
 33.23 C9     -    2.4    -     -    3.3    -     -     -   -3.6  -4.1 132.2 123.2    -     -     -     -    3.8   3.8   3.8    - 
 72.53 C10    -     -     -    1.2  -5.2    -     -    4.2   6.6   1.4  -5.0  -1.5    -     -     -     -   -3.7  -3.7  -3.7    - 
 81.81 C11 158.8   1.1  -2.4    -     -     -     -    0.6    -     -     -     -   -1.6   4.4   4.4   4.4    -     -     -     - 
 46.54 C12    -   -4.1   4.5   1.7    -     -     -     -    1.1   2.2   0.8    -  126.0  -4.0  -4.0  -4.0    -     -     -     - 
168.50 C13   4.5    -    1.5    -     -    5.6  -2.0  -1.0    -     -     -     -     -     -     -     -     -     -     -     - 
 10.43 C17    -    3.6    -     -     -     -     -     -     -     -     -     -   -4.3 128.3 128.3 128.3    -     -     -     - 
 26.78 C19    -     -     -     -    2.1    -     -     -     -     -    2.3   1.6    -     -     -     -  126.7 126.7 126.7    - 
 -ppm- -#-   H16   H18   H20   H21   H23   H24   H25   H26   H27   H28   H29   H30   H31   H32   H33   H34   H35   H36   H37   H38   
1H data (JH-H abs sorted)

6.69 (5.5, 3.0, 3.0)
4.73 (7.1, 7.1)
3.10 (7.1, 6.3, 4.1, 3.0)
2.58 (21.0, 8.4, 4.1, 3.0)
2.53 (11.7, 6.3, 4.7)
1.92 (21.0, 8.7, 5.5, 3.5)
1.80 (13.6, 3.7, 2.5, 1.5)
1.73 (8.7, 8.4, 4.7, 0.8)
1.67 (11.2, 7.1, 7.0, 7.0)
1.62 (12.1, 3.6, 2.5, 0.8)
1.58 (12.5, 12.1, 12.0, 3.7)
1.43 (13.6, 12.5, 4.3, 1.7)
1.23
1.10 (7.0)
1.05 (12.0, 11.7, 11.2, 3.6)
-0.10 (1.7)
13C data
 13 168.5 (5.6, 4.5, -2.0, 1.5)
  1 138.0 (164.3, -8.4, -8.3, 5.5)
  2 132.3 (7.6, -7.4, 6.2, 5.8)
 11  81.8 (158.8, 4.4, 4.4, 4.4)
 10  72.5 (6.6, -5.2, -5.0, 4.2)
 12  46.5 (126.0, 4.5, -4.1, -4.0)
  3  44.0 (140.0, 7.0, -3.7, 1.5)
  5  43.7 (125.8, 5.9, 5.4, -4.1)
  7  41.4 (123.6, 7.7, 5.7, 4.9)
  4  41.0 (133.7, 7.7, -4.2, -4.0)
  9  33.2 (132.2, 123.2, -4.1, 3.8)
  6  27.3 (131.8, 125.6, 5.5, 3.9)
 19  26.8 (126.7, 126.7, 126.7, 2.3)
  8  24.4 (129.7, 129.4, -3.9, -3.6)
 17  10.4 (128.3, 128.3, 128.3, -4.3)

[ Notes ]
  • Experimental J's reported in the paper are corrected for typos; most noticeable:
    [H5] 2.21ppm (ddd, 11.6 4.8 4.2) => 11.7 6.3 4.4