palmarumycin CE3 (0.31Hz/12)


Gaussian numbering
1H-1H Js
 -ppm- -#-   H25   H27   H28   H29   H30   H31   H32   H33   H34   H35   H36   H37   H38   H39   H40   H41   H42   H43   
  2.62 H25
  2.55 H27   3.5
  6.96 H28    -     - 
  7.48 H29    -     -    7.7
  7.44 H30    -     -    0.9   8.2
  7.43 H31    -     -     -     -     - 
  7.42 H32    -     -     -     -     -    8.2
  6.81 H33    -     -     -     -     -    0.9   7.7
  4.54 H34   8.8    -     -     -     -     -     -     - 
  1.67 H35    -    0.6    -     -     -     -     -     -    9.9
  2.28 H36    -     -     -     -     -     -     -     -    7.3 -13.1
  3.90 H37    -    1.3    -     -     -     -     -     -     -    0.9   5.1
  4.79 H38   0.9   3.8    -     -     -     -     -     -     -     -     -     - 
  6.10 H39    -     -     -     -     -     -     -     -     -     -     -     -    4.7
  6.31 H40   1.5    -     -     -     -     -     -     -     -     -     -     -   -0.6   9.9
  4.46 H41   4.3    -     -     -     -     -     -     -     -     -     -     -    1.5  -2.1   1.9
  4.23 H42    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -    4.6
  0.25 H43    -     -     -     -     -     -     -     -    7.0    -     -     -     -     -     -     -     - 

13C-1H Js
 -ppm- -#-   H25   H27   H28   H29   H30   H31   H32   H33   H34   H35   H36   H37   H38   H39   H40   H41   H42   H43   
109.75 C1     -     -  166.3   1.6   8.3    -     -    0.6    -     -     -     -     -     -     -     -     -     - 
128.45 C2     -     -    0.7 162.4   1.0  -0.6   0.6    -     -     -     -     -     -     -     -     -     -     - 
120.66 C3     -     -    7.1    -  163.6   4.7    -     -     -     -     -     -     -     -     -     -     -     - 
134.50 C4     -     -   -0.9   8.7   2.8   2.8   8.7  -0.9    -     -     -     -     -     -     -     -     -     - 
113.20 C5     -     -    5.2  -1.1   7.3   7.3  -1.1   5.1    -     -     -     -     -     -     -     -     -     - 
148.61 C6     -     -   -3.7   9.7  -1.8    -     -     -     -     -     -     -     -     -     -     -     -     - 
120.98 C7     -     -     -     -    4.8 163.7    -    7.0    -     -     -     -     -     -     -     -     -     - 
127.59 C8     -     -     -    0.6  -0.6   1.0 162.5    -     -     -     -     -     -     -     -     -     -     - 
107.87 C9     -     -    0.6    -     -    8.4   1.6 164.5    -     -     -     -     -     -     -     -     -     - 
148.71 C10    -     -     -     -     -   -1.8   9.7  -3.6    -     -     -     -     -     -     -     -     -     - 
104.45 C12   1.5  -6.1    -     -     -     -     -     -     -    1.3   7.9  -4.3    -    1.0    -     -     -     - 
 46.83 C14  -4.5 143.3    -     -     -     -     -     -     -     -     -    2.8  -2.0   6.3    -    1.9    -     - 
 44.36 C15 135.3  -2.7    -     -     -     -     -     -   -2.6   1.0   6.4    -    4.7  -0.7   3.7  -3.3    -     - 
 68.66 C16  -4.9   7.5    -     -     -     -     -     -  149.3  -5.6  -4.3   7.2    -     -     -    5.5    -     - 
 37.27 C17   0.8    -     -     -     -     -     -     -   -3.5 127.3 136.6    -    0.7    -     -    0.7    -     - 
 73.89 C18    -    3.5    -     -     -     -     -     -    0.8  -2.0  -4.8 157.2   0.9    -     -     -     -     - 
 71.21 C19   5.8    -     -     -     -     -     -     -     -     -     -    5.7 155.9   3.0  10.4  -0.8    -     - 
126.58 C20    -    0.8    -     -     -     -     -     -     -     -     -     -   -3.9 165.7    -    5.3    -     - 
143.27 C21   5.1    -     -     -     -     -     -     -     -     -     -     -    5.1  -0.7 164.6  -5.6    -     - 
 70.95 C22  -4.3   2.5    -     -     -     -     -     -    4.2    -     -     -   -0.6   9.3   0.9 145.8    -     - 
 -ppm- -#-   H25   H27   H28   H29   H30   H31   H32   H33   H34   H35   H36   H37   H38   H39   H40   H41   H42   H43   
1H data (JH-H abs sorted)

7.48 (8.2, 7.7)
7.44 (8.2, 0.9)
7.43 (8.2, 0.9)
7.42 (8.2, 7.7)
6.96 (7.7, 0.9)
6.81 (7.7, 0.9)
6.31 (9.9, 1.9, 1.5, 0.6)
6.10 (9.9, 4.7, 2.1)
4.79 (4.7, 3.8, 0.9, 0.6)
4.54 (9.9, 8.8, 7.3, 7.0)
4.46 (4.3, 2.1, 1.9, 1.5)
4.23 (4.6)
3.90 (5.1, 1.3, 0.9)
2.62 (8.8, 3.5, 1.5, 0.9)
2.55 (3.8, 3.5, 1.3, 0.6)
2.28 (13.1, 7.3, 5.1)
1.67 (13.1, 9.9, 0.9, 0.6)
0.25 (7.0)
13C data
 10 148.7 (9.7, -3.6, -1.8)
  6 148.6 (9.7, -3.7, -1.8)
 21 143.3 (164.6, -5.6, 5.1, 5.1)
  4 134.5 (8.7, 8.7, 2.8, 2.8)
  2 128.5 (162.4, 1.0, 0.7, -0.6)
  8 127.6 (162.5, 1.0, -0.6, 0.6)
 20 126.6 (165.7, 5.3, -3.9, 0.8)
  7 121.0 (163.7, 7.0, 4.8)
  3 120.7 (163.6, 7.1, 4.7)
  5 113.2 (7.3, 7.3, 5.2, 5.1)
  1 109.7 (166.3, 8.3, 1.6, 0.6)
  9 107.9 (164.5, 8.4, 1.6, 0.6)
 12 104.5 (7.9, -6.1, -4.3, 1.5)
 18  73.9 (157.2, -4.8, 3.5, -2.0)
 19  71.2 (155.9, 10.4, 5.8, 5.7)
 22  70.9 (145.8, 9.3, -4.3, 4.2)
 16  68.7 (149.3, 7.5, 7.2, -5.6)
 14  46.8 (143.3, 6.3, -4.5, 2.8)
 15  44.4 (135.3, 6.4, 4.7, 3.7)
 17  37.3 (136.6, 127.3, -3.5, 0.8)