radudiol (0.42Hz/15)


FRACTIONS (manually entered): 0.760 0.074 0.166 (major structure is shown)
Rel. DFT Energies (kcal/mol): 0.000 5.920 0.558
Gaussian numbering
1H-1H Js
 -ppm- -#-   H3    H4    H5    H11   H14   H17   H18   H20   H22   H23   H26   H28   H29   H30   H32   H33   H34   H35   H36   H37   H38   H39   H40   H41   H42   H43   
  1.63 H3 
  1.15 H4     - 
  1.65 H5  -13.1    - 
  2.46 H11   9.2    -    8.3
  1.83 H14    -     -     -     - 
  1.53 H17    -     -     -     -    8.3
  3.29 H18    -     -     -     -     -   10.3
  2.37 H20    -     -     -   11.6    -     -    9.4
  2.04 H22   1.7    -     -     -     -     -     -    7.0
  1.36 H23    -     -     -     -     -     -     -   11.6 -12.5
  1.15 H26    -     -     -     -     -     -     -     -     -     - 
  1.15 H28    -     -     -     -     -     -     -     -     -     -     - 
  1.47 H29    -     -     -     -    0.8    -     -     -     -     -     -     - 
  2.03 H30    -     -     -     -   -0.7    -     -     -     -     -     -     -  -10.9
  4.04 H32    -     -     -     -    6.3    -     -     -     -     -     -     -    6.6   6.4
  0.57 H33    -     -     -     -     -     -     -     -     -     -     -     -     -     -    0.7
  1.11 H34    -     -     -     -     -    6.6    -     -     -     -     -     -     -     -     -     - 
  1.11 H35    -     -     -     -     -    6.6    -     -     -     -     -     -     -     -     -     -     - 
  1.11 H36    -     -     -     -     -    6.6    -     -     -     -     -     -     -     -     -     -     -     - 
  0.99 H37    -     -     -     -     -     -    0.7    -     -     -     -     -     -     -     -     -     -     -     - 
  1.13 H38    -     -    0.8    -     -     -     -     -     -    0.7    -     -     -     -     -     -     -     -     -     - 
  1.13 H39    -     -    0.8    -     -     -     -     -     -    0.7    -     -     -     -     -     -     -     -     -     -     - 
  1.13 H40    -     -    0.8    -     -     -     -     -     -    0.7    -     -     -     -     -     -     -     -     -     -     -     - 
  1.17 H41    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  1.17 H42    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  1.17 H43    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 

13C-1H Js
 -ppm- -#-   H3    H4    H5    H11   H14   H17   H18   H20   H22   H23   H26   H28   H29   H30   H32   H33   H34   H35   H36   H37   H38   H39   H40   H41   H42   H43   
 40.92 C1  128.8    -  127.3  -3.7    -     -     -    1.5   6.6   1.2    -     -     -     -     -     -     -     -     -     -    4.3   4.3   4.3   4.6   4.6   4.6
 45.70 C2   -2.3   3.4  -4.1 128.6   3.9    -     -   -4.0   7.5   1.2   3.4   3.4   5.0   4.5    -     -     -     -     -     -     -     -     -     -     -     - 
 32.32 C6    1.7  -4.0   5.9  -3.9  -4.4   0.9    -    4.5    -     -   -4.0  -4.0  -4.1  -2.6   1.1    -     -     -     -     -     -     -     -     -     -     - 
 56.89 C7     -    5.0    -    0.9 133.8  -4.3   1.7    -     -     -    5.0   5.0   1.4   8.6  -2.9    -    4.8   4.8   4.8    -     -     -     -     -     -     - 
 42.94 C8     -     -     -     -   -3.2 127.4    -    2.7    -     -     -     -     -    1.5   4.3    -   -3.7  -3.7  -3.7    -     -     -     -     -     -     - 
 75.41 C9     -     -     -    2.1   0.7  -5.2 138.2  -6.1   1.1   4.6    -     -     -     -     -     -    4.6   4.6   4.6    -     -     -     -     -     -     - 
 46.84 C10   4.9    -    0.8  -4.0    -    3.5  -2.5 127.6  -2.9  -4.2    -     -    0.6    -     -     -     -     -     -     -     -     -     -     -     -     - 
 42.99 C12    -    5.5    -    4.8   1.4    -     -     -     -     -    5.5   5.5 132.2 135.4    -     -     -     -     -     -     -     -     -     -     -     - 
 27.14 C13    -  126.2    -    5.7   5.8    -     -     -     -     -  126.2 126.2   5.2   1.6    -     -     -     -     -     -     -     -     -     -     -     - 
 71.08 C15    -     -     -     -   -6.0   6.7    -     -     -     -     -     -   -5.6  -2.4 145.0    -     -     -     -     -     -     -     -     -     -     - 
 15.06 C16    -     -     -     -    6.5  -3.1   2.7    -     -     -     -     -     -     -     -     -  126.7 126.7 126.7    -     -     -     -     -     -     - 
 46.21 C21   5.2    -    0.9   3.4    -     -    3.4  -3.9 132.7 124.5    -     -     -     -     -     -     -     -     -     -    4.0   4.0   4.0   4.3   4.3   4.3
 40.25 C24  -3.1    -   -3.7   1.2    -     -     -    1.0  -2.5  -3.6    -     -     -     -     -     -     -     -     -     -   -3.5  -3.5  -3.5  -3.6  -3.6  -3.6
 27.59 C25   1.1    -    4.6    -     -     -     -     -    1.1   4.1    -     -     -     -     -     -     -     -     -     -    4.9   4.9   4.9 125.6 125.6 125.6
 25.54 C27   4.8    -    6.5    -     -     -     -     -    3.7   6.2    -     -     -     -     -     -     -     -     -     -  125.6 125.6 125.6   4.6   4.6   4.6
 -ppm- -#-   H3    H4    H5    H11   H14   H17   H18   H20   H22   H23   H26   H28   H29   H30   H32   H33   H34   H35   H36   H37   H38   H39   H40   H41   H42   H43   
1H data (JH-H abs sorted)

4.04 (6.6, 6.4, 6.3, 0.7)
3.29 (10.3, 9.4, 0.7)
2.46 (11.6, 9.2, 8.3)
2.37 (11.6, 11.6, 9.4, 7.0)
2.04 (12.5, 7.0, 1.7)
2.03 (10.9, 6.4, 0.7)
1.83 (8.3, 6.3, 0.8, 0.7)
1.65 (13.1, 8.3, 0.8, 0.8)
1.63 (13.1, 9.2, 1.7)
1.53 (10.3, 8.3, 6.6, 6.6)
1.47 (10.9, 6.6, 0.8)
1.36 (12.5, 11.6, 0.7, 0.7)
1.17
1.15
1.13 (0.8, 0.7)
1.11 (6.6)
0.99 (0.7)
0.57 (0.7)
13C data
  9  75.4 (138.2, -6.1, -5.2, 4.6)
 15  71.1 (145.0, 6.7, -6.0, -5.6)
  7  56.9 (133.8, 8.6, 5.0, 5.0)
 10  46.8 (127.6, 4.9, -4.2, -4.0)
 21  46.2 (132.7, 124.5, 5.2, 4.3)
  2  45.7 (128.6, 7.5, 5.0, 4.5)
 12  43.0 (135.4, 132.2, 5.5, 5.5)
  8  42.9 (127.4, 4.3, -3.7, -3.7)
  1  40.9 (128.8, 127.3, 6.6, 4.6)
 24  40.2 (-3.7, -3.6, -3.6, -3.6)
  6  32.3 (5.9, 4.5, -4.4, -4.1)
 25  27.6 (125.6, 125.6, 125.6, 4.9)
 13  27.1 (126.2, 126.2, 126.2, 5.8)
 27  25.5 (125.6, 125.6, 125.6, 6.5)
 16  15.1 (126.7, 126.7, 126.7, 6.5)