hypodoratoxide (revised) (0.13Hz/12)


FRACTIONS (manually entered): 0.081 0.878 0.041 (major structure is shown)
Rel. DFT Energies (kcal/mol): 2.242 0.000 4.073
Gaussian numbering
1H-1H Js
 -ppm- -#-   H6    H7    H11   H12   H13   H14   H15   H17   H18   H19   H22   H23   H25   H27   H29   H30   H31   H34   H35   H36   H37   H38   H39   H40   H41   H42   
  2.40 H6 
  1.03 H7  -13.8
  1.87 H11    -     - 
  1.63 H12    -     -     - 
  1.66 H13    -     -     -  -14.4
  1.74 H14    -     -     -    1.5   7.1
  1.70 H15    -     -     -    6.6  12.7 -13.5
  1.88 H17    -     -     -    0.6    -    3.0   3.4
  2.00 H18    -     -     -     -     -    2.3    -    4.5
  1.82 H19    -     -     -     -     -     -     -    0.9 -12.1
  1.44 H22   7.0  12.0    -     -     -     -     -     -     -     - 
  1.63 H23   1.9   7.0    -     -     -     -     -     -     -     -  -11.9
  1.33 H25    -     -   10.9    -     -     -     -     -     -     -   12.2   6.3
  1.92 H27   1.9    -    6.7    -     -     -     -     -     -     -    6.0   1.8 -11.8
  1.21 H29    -     -    6.9    -     -     -     -     -     -     -     -     -     -     - 
  1.21 H30    -     -    6.9    -     -     -     -     -     -     -     -     -     -     -     - 
  1.21 H31    -     -    6.9    -     -     -     -     -     -     -     -     -     -     -     -     - 
  1.36 H34    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  1.36 H35    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  1.36 H36    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  1.21 H37    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -    0.8   0.8   0.8
  1.21 H38    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -    0.8   0.8   0.8    - 
  1.21 H39    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -    0.8   0.8   0.8    -     - 
  1.30 H40    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  1.30 H41    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  1.30 H42    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 

13C-1H Js
 -ppm- -#-   H6    H7    H11   H12   H13   H14   H15   H17   H18   H19   H22   H23   H25   H27   H29   H30   H31   H34   H35   H36   H37   H38   H39   H40   H41   H42   
 54.02 C1   -3.0  -3.8  -3.7  -3.6  -4.3   5.8   0.9    -    4.7   1.7   1.2   6.1   1.0   5.8   3.4   3.4   3.4    -     -     -     -     -     -    2.8   2.8   2.8
 39.60 C2  134.4 126.8   1.0   1.1   4.8    -     -    0.7   0.8    -   -3.7  -2.6   1.8   7.3    -     -     -     -     -     -     -     -     -     -     -     - 
 29.88 C3    1.4   7.1   3.1 127.7 129.7  -3.4  -4.1   6.5    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
 27.05 C4     -     -     -   -3.5  -4.2 128.2 126.9  -2.5   7.0   3.1    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
 44.53 C5     -     -     -    6.6   1.0  -3.7  -3.7 136.0  -3.1  -2.7    -     -     -     -     -     -     -    3.1   3.1   3.1   3.4   3.4   3.4    -     -     - 
 26.35 C8   -2.7  -3.9   1.2    -     -     -     -     -     -     -  127.5 130.9  -3.9  -2.6    -     -     -     -     -     -     -     -     -     -     -     - 
 38.75 C9     -     -     -     -     -    7.8   2.5  -3.0 130.9 132.8    -     -     -     -     -     -     -     -     -     -     -     -     -    4.1   4.1   4.1
 86.73 C10   4.4   5.1   5.6   5.3   1.1    -     -    6.0  -4.1  -0.8    -     -     -     -     -     -     -     -     -     -     -     -     -   -3.8  -3.8  -3.8
 81.78 C16    -     -     -     -     -    1.6   8.0    -    1.0   7.4    -     -     -     -     -     -     -   -3.7  -3.7  -3.7  -3.5  -3.5  -3.5    -     -     - 
 21.73 C20    -     -     -     -     -     -     -     -    4.4    -     -     -     -     -     -     -     -     -     -     -     -     -     -  127.5 127.5 127.5
 37.57 C24   8.1   1.8  -4.0    -     -     -     -     -     -     -   -3.7  -2.9 125.6 130.7   5.1   5.1   5.1    -     -     -     -     -     -     -     -     - 
 40.33 C26   4.5   0.8 126.2   3.4   6.2    -     -     -     -     -    1.7   7.2  -4.1  -2.2  -3.8  -3.8  -3.8    -     -     -     -     -     -     -     -     - 
 15.91 C28    -     -   -3.8    -     -     -     -     -     -     -     -     -    5.1   1.2 126.4 126.4 126.4    -     -     -     -     -     -     -     -     - 
 21.08 C32    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -  127.2 127.2 127.2   4.2   4.2   4.2    -     -     - 
 27.86 C33    -     -     -     -     -     -     -    1.8    -     -     -     -     -     -     -     -     -    4.4   4.4   4.4 126.8 126.8 126.8    -     -     - 
 -ppm- -#-   H6    H7    H11   H12   H13   H14   H15   H17   H18   H19   H22   H23   H25   H27   H29   H30   H31   H34   H35   H36   H37   H38   H39   H40   H41   H42   
1H data (JH-H abs sorted)

2.40 (13.8, 7.0, 1.9, 1.9)
2.00 (12.1, 4.5, 2.3)
1.92 (6.7, 6.0, 1.9, 1.8)
1.88 (4.5, 3.4, 3.0, 0.6)
1.87 (10.9, 6.9, 6.9, 6.7)
1.82 (12.1, 0.9)
1.74 (13.5, 7.1, 3.0, 1.5)
1.70 (13.5, 12.7, 6.6, 3.4)
1.66 (14.4, 12.7, 7.1)
1.63 (14.4, 6.6, 1.5, 0.6)
1.63 (11.9, 7.0, 6.3, 1.9)
1.44 (12.2, 12.0, 11.9, 7.0)
1.36 (0.8, 0.8, 0.8)
1.33 (12.2, 11.8, 10.9, 6.3)
1.30
1.21 (6.9)
1.21 (0.8, 0.8, 0.8)
1.03 (13.8, 12.0, 7.0)
13C data
 10  86.7 (6.0, 5.6, 5.3, 5.1)
 16  81.8 (8.0, 7.4, -3.7, -3.7)
  1  54.0 (6.1, 5.8, 5.8, 4.7)
  5  44.5 (136.0, 6.6, -3.7, -3.7)
 26  40.3 (126.2, 7.2, 6.2, 4.5)
  2  39.6 (134.4, 126.8, 7.3, 4.8)
  9  38.7 (132.8, 130.9, 7.8, 4.1)
 24  37.6 (130.7, 125.6, 8.1, 5.1)
  3  29.9 (129.7, 127.7, 7.1, 6.5)
 33  27.9 (126.8, 126.8, 126.8, 4.4)
  4  27.0 (128.2, 126.9, 7.0, -4.2)
  8  26.3 (130.9, 127.5, -3.9, -3.9)
 20  21.7 (127.5, 127.5, 127.5, 4.4)
 32  21.1 (127.2, 127.2, 127.2, 4.2)
 28  15.9 (126.4, 126.4, 126.4, 5.1)