artemisinin (0.24Hz/12; 1H 0.09ppm/16; 13C 0.94ppm/15)


Gaussian numbering
1H-1H Js
 -ppm- -#-   H17   H22   H23   H24   H25   H26   H27   H28   H29   H30   H31   H32   H33   H34   H35   H36   H37   H38   H39   H40   H41   H42   
  1.63 H17
  5.49 H22    - 
  1.34 H23    -     - 
  3.36 H24   5.2    -     - 
  1.11 H25  13.6    -     -     - 
  1.84 H26   4.4    -     -     -  -13.7
  1.73 H27    -     -     -     -    3.5   2.8
  1.05 H28    -     -     -     -   13.0   4.0 -13.3
  1.44 H29    -     -   10.7    -     -     -    3.8  11.9
  1.62 H30    -     -   11.2    -     -     -     -     -     - 
  1.92 H31    -     -    7.0    -     -     -     -     -     -  -13.6
  1.99 H32    -     -     -     -     -     -     -     -     -    5.1   2.8
  2.57 H33    -     -     -     -     -     -     -     -     -   13.3   4.0 -14.0
  1.19 H34    -     -     -    7.3    -     -     -     -     -     -     -     -     - 
  1.19 H35    -     -     -    7.3    -     -     -     -     -     -     -     -     -     - 
  1.19 H36    -     -     -    7.3    -     -     -     -     -     -     -     -     -     -     - 
  1.05 H37    -     -     -     -     -     -     -     -    6.4    -     -     -     -     -     -     - 
  1.05 H38    -     -     -     -     -     -     -     -    6.4    -     -     -     -     -     -     -     - 
  1.05 H39    -     -     -     -     -     -     -     -    6.4    -     -     -     -     -     -     -     -     - 
  1.52 H40    -     -     -     -     -     -     -     -     -     -     -    0.6    -     -     -     -     -     -     - 
  1.52 H41    -     -     -     -     -     -     -     -     -     -     -    0.6    -     -     -     -     -     -     -     - 
  1.52 H42    -     -     -     -     -     -     -     -     -     -     -    0.6    -     -     -     -     -     -     -     -     - 

13C-1H Js
 -ppm- -#-   H17   H22   H23   H24   H25   H26   H27   H28   H29   H30   H31   H32   H33   H34   H35   H36   H37   H38   H39   H40   H41   H42   
169.38 C2    9.4   1.6    -   -7.8    -     -     -     -     -     -     -     -     -    5.4   5.4   5.4    -     -     -     -     -     - 
 33.88 C3   -3.8    -     -  129.6   1.9   1.5    -     -     -     -     -     -     -   -3.9  -3.9  -3.9    -     -     -     -     -     - 
 46.03 C4  132.5    -    2.0  -5.5  -3.5  -4.0   8.4   2.4    -     -     -     -     -    4.1   4.1   4.1    -     -     -     -     -     - 
 79.49 C5   -6.0   2.3  -5.8   1.4   1.5   8.8    -     -    1.0   0.8   6.9    -     -     -     -     -     -     -     -     -     -     - 
 91.45 C6    6.8 173.6   6.7    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
 23.98 C7   -4.3    -     -    6.5 124.1 132.7  -3.2  -3.8   1.8    -     -     -     -     -     -     -     -     -     -     -     -     - 
 33.70 C8    2.2    -    1.8    -   -3.5  -4.1 130.2 124.3  -3.5    -     -     -     -     -     -     -    5.2   5.2   5.2    -     -     - 
 38.40 C9     -     -   -4.2    -    1.9   8.6  -3.4  -4.1 124.6   4.3   0.6    -     -     -     -     -   -3.6  -3.6  -3.6    -     -     - 
 50.38 C10   2.0   1.1 130.3    -     -     -    7.3   2.0  -3.9  -4.0  -3.5   7.7   1.4    -     -     -    4.3   4.3   4.3    -     -     - 
 25.62 C11    -     -   -4.3    -     -     -    0.6    -    2.6 129.2 129.8  -3.8  -4.1    -     -     -     -     -     -     -     -     - 
 35.81 C12    -     -    0.9    -     -     -     -     -     -   -4.8  -3.3 130.4 131.5    -     -     -     -     -     -    3.1   3.1   3.1
104.09 C13    -    5.7    -     -     -     -     -     -     -    1.9   9.4  -2.3  -4.1    -     -     -     -     -     -   -4.2  -4.2  -4.2
 11.49 C16   1.5    -     -   -5.2    -     -     -     -     -     -     -     -     -  130.0 130.0 130.0    -     -     -     -     -     - 
 18.25 C18    -     -    2.9    -     -     -    2.0   2.8  -4.0    -     -     -     -     -     -     -  127.2 127.2 127.2    -     -     - 
 23.54 C21    -     -     -     -     -     -     -     -     -     -     -    3.6   0.7    -     -     -     -     -     -  131.7 131.7 131.7
 -ppm- -#-   H17   H22   H23   H24   H25   H26   H27   H28   H29   H30   H31   H32   H33   H34   H35   H36   H37   H38   H39   H40   H41   H42   
1H data (JH-H abs sorted)

5.49
3.36 (7.3, 7.3, 7.3, 5.2)
2.57 (14.0, 13.3, 4.0)
1.99 (14.0, 5.1, 2.8, 0.6)
1.92 (13.6, 7.0, 4.0, 2.8)
1.84 (13.7, 4.4, 4.0, 2.8)
1.73 (13.3, 3.8, 3.5, 2.8)
1.63 (13.6, 5.2, 4.4)
1.62 (13.6, 13.3, 11.2, 5.1)
1.52 (0.6)
1.44 (11.9, 10.7, 6.4, 3.8)
1.34 (11.2, 10.7, 7.0)
1.19 (7.3)
1.11 (13.7, 13.6, 13.0, 3.5)
1.05 (13.3, 13.0, 11.9, 4.0)
1.05 (6.4)
13C data
  2 169.4 (9.4, -7.8, 5.4, 5.4)
 13 104.1 (9.4, 5.7, -4.2, -4.2)
  6  91.5 (173.6, 6.8, 6.7)
  5  79.5 (8.8, 6.9, -6.0, -5.8)
 10  50.4 (130.3, 7.7, 7.3, 4.3)
  4  46.0 (132.5, 8.4, -5.5, 4.1)
  9  38.4 (124.6, 8.6, 4.3, -4.2)
 12  35.8 (131.5, 130.4, -4.8, -3.3)
  3  33.9 (129.6, -3.9, -3.9, -3.9)
  8  33.7 (130.2, 124.3, 5.2, 5.2)
 11  25.6 (129.8, 129.2, -4.3, -4.1)
  7  24.0 (132.7, 124.1, 6.5, -4.3)
 21  23.5 (131.7, 131.7, 131.7, 3.6)
 18  18.3 (127.2, 127.2, 127.2, -4.0)
 16  11.5 (130.0, 130.0, 130.0, -5.2)

[ Notes ]
  • hetcor-based assignment in 1988