P.acaciicola (compound 25) (0.34Hz/13)


Gaussian numbering
1H-1H Js
 -ppm- -#-   H4    H16   H17   H18   H19   H22   H23   H24   H25   H26   H28   H29   H31   H32   H33   H34   H35   H36   H37   H38   H39   H40   
  1.38 H4 
  1.47 H16    - 
  2.13 H17    -  -14.0
  2.40 H18    -    2.0   4.8
  2.77 H19    -    6.6  14.8 -14.9
  1.38 H22    -     -     -     -     - 
  1.90 H23    -     -     -     -     -     - 
  1.88 H24    -     -     -     -     -     -  -13.7
  2.04 H25    -     -     -     -     -     -    1.5   6.3
  2.72 H26    -     -     -     -     -     -    6.3  13.5 -14.0
  4.21 H28    -     -     -     -     -     -     -     -    1.3   4.6
  3.55 H29    -     -     -     -     -     -    0.6    -    1.3    -    3.1
  1.70 H31    -     -     -     -     -     -    3.1    -    0.8    -    1.1   3.9
  2.05 H32    -     -     -     -     -     -     -     -     -     -     -    2.3 -13.1
  1.38 H33    -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  1.28 H34    -     -    0.9    -     -     -     -     -     -     -     -     -     -     -     - 
  1.28 H35    -     -    0.9    -     -     -     -     -     -     -     -     -     -     -     -     - 
  0.21 H36    -     -     -     -     -     -     -     -     -    1.5   0.8    -     -     -     -     -     - 
  1.28 H37    -     -    0.9    -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  0.95 H38    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -    0.7   0.7    -    0.7
  0.95 H39    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -    0.7   0.7    -    0.7    - 
  0.95 H40    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -    0.7   0.7    -    0.7    -     - 

13C-1H Js
 -ppm- -#-   H4    H16   H17   H18   H19   H22   H23   H24   H25   H26   H28   H29   H31   H32   H33   H34   H35   H36   H37   H38   H39   H40   
206.71 C2    3.4   9.4   1.6  -5.8  -5.7   3.4    -    1.0    -     -     -     -     -     -    3.4    -     -     -     -     -     -     - 
 90.81 C3   -3.2    -     -    3.6    -   -3.2   1.9   8.4    -     -     -   -0.6   1.4   6.2  -3.2    -     -     -     -     -     -     - 
 46.04 C5    3.0   6.8   1.0    -     -    3.0  -3.9  -3.4   6.3   0.7    -    4.5  -2.9  -3.9   3.0   3.3   3.3    -    3.3   3.3   3.3   3.3
 39.82 C6     -   -3.5  -3.5   8.0   1.5    -    1.5   2.0    -     -     -     -    1.8   1.7    -   -3.4  -3.4    -   -3.4  -3.3  -3.3  -3.3
 35.26 C7     -  130.2 128.0  -3.0  -5.2    -     -     -     -     -     -     -     -     -     -    4.6   4.6    -    4.6   5.1   5.1   5.1
 36.10 C8     -   -3.9  -3.2 136.6 124.0    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
 23.39 C9     -    0.8    -     -     -     -  128.9 128.4  -3.2  -4.2   5.7    -    6.2   2.3    -     -     -     -     -     -     -     - 
 20.85 C11 131.8    -     -     -     -  131.8    -     -     -     -     -    1.7    -    0.9 131.8    -     -     -     -     -     -     - 
 29.00 C12    -     -     -     -     -     -   -3.3  -4.8 129.7 132.5  -1.5   4.4    -     -     -     -     -     -     -     -     -     - 
 67.97 C13    -     -     -     -     -     -    7.1   1.1  -5.7  -1.6 148.8  -3.8   4.7   0.8    -     -     -     -     -     -     -     - 
 22.16 C14    -    3.1   7.3    -     -     -     -     -     -     -     -     -     -     -     -  126.5 126.5    -  126.5   4.9   4.9   4.9
 23.56 C15    -    1.5   3.5    -     -     -     -     -     -     -     -     -     -     -     -    5.3   5.3    -    5.3 127.3 127.3 127.3
 80.32 C20    -     -     -     -     -     -     -     -    4.1   0.8  -1.7 143.9  -4.8  -2.8    -     -     -     -     -     -     -     - 
 26.31 C21    -     -     -     -     -     -    6.8   2.2    -     -    3.9  -2.9 130.4 132.9    -     -     -     -     -     -     -     - 
 -ppm- -#-   H4    H16   H17   H18   H19   H22   H23   H24   H25   H26   H28   H29   H31   H32   H33   H34   H35   H36   H37   H38   H39   H40   
1H data (JH-H abs sorted)

4.21 (4.6, 3.1, 1.3, 1.1)
3.55 (3.9, 3.1, 1.3, 0.6)
2.77 (14.9, 14.8, 6.6)
2.72 (14.0, 13.5, 6.3, 4.6)
2.40 (14.9, 4.8, 2.0)
2.13 (14.8, 14.0, 4.8, 0.9)
2.05 (13.1, 2.3)
2.04 (14.0, 6.3, 1.5, 1.3)
1.90 (13.7, 6.3, 1.5, 0.6)
1.88 (13.7, 13.5, 6.3)
1.70 (3.9, 3.1, 1.1, 0.8)
1.47 (14.0, 6.6, 2.0)
1.38
1.28 (0.9, 0.7, 0.7, 0.7)
0.95 (0.7, 0.7, 0.7)
0.21 (1.5, 0.8)
13C data
  2 206.7 (9.4, -5.8, -5.7, 3.4)
  3  90.8 (8.4, 6.2, 3.6, -3.2)
 20  80.3 (143.9, -4.8, 4.1, -2.8)
 13  68.0 (148.8, 7.1, -5.7, 4.7)
  5  46.0 (6.8, 6.3, 4.5, -3.9)
  6  39.8 (8.0, -3.5, -3.5, -3.4)
  8  36.1 (136.6, 124.0, -3.9, -3.2)
  7  35.3 (130.2, 128.0, -5.2, 5.1)
 12  29.0 (132.5, 129.7, -4.8, 4.4)
 21  26.3 (132.9, 130.4, 6.8, 3.9)
 15  23.6 (127.3, 127.3, 127.3, 5.3)
  9  23.4 (128.9, 128.4, 6.2, 5.7)
 14  22.2 (126.5, 126.5, 126.5, 7.3)
 11  20.8 (131.8, 131.8, 131.8, 1.7)