bacaryolane B (0.21Hz/15)


FRACTIONS (manually entered): 0.421 0.579 (major structure is shown)
Rel. DFT Energies (kcal/mol): 2.402 0.000
Gaussian numbering
1H-1H Js
 -ppm- -#-   H5    H8    H11   H12   H13   H14   H15   H16   H17   H18   H20   H24   H25   H27   H31   H32   H33   H34   H35   H37   H38   H39   H40   H41   H42   H43   
  1.21 H5 
  2.01 H8     - 
  2.58 H11    -   12.2
  1.61 H12    -     -    8.5
  2.07 H13    -     -   10.5 -10.4
  1.21 H14    -     -     -     -     - 
  1.21 H15    -     -     -     -     -     - 
  1.29 H16    -     -     -     -    0.8    -     - 
  1.29 H17    -     -     -     -    0.8    -     -     - 
  1.29 H18    -     -     -     -    0.8    -     -     -     - 
  4.19 H20    -    4.0    -     -     -     -     -     -     -     - 
  1.40 H24    -     -     -     -     -     -     -     -     -     -    4.2
  1.78 H25    -     -     -     -     -     -     -     -     -     -    6.4 -14.3
  0.52 H27    -     -     -     -     -     -     -     -     -     -    0.6   0.9    - 
  0.72 H31    -     -     -     -     -     -     -     -     -     -     -     -    0.9    - 
  1.95 H32    -     -     -     -     -     -     -     -     -     -     -     -     -     -  -13.1
 -0.33 H33    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  1.87 H34    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -    2.6    - 
  0.96 H35    -     -    0.9    -     -     -     -     -     -     -     -     -     -     -     -     -     -  -12.1
  1.58 H37    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -    2.3    -    1.1    - 
  1.14 H38    -     -     -     -     -     -     -     -     -     -     -    0.8    -     -     -     -     -     -     -  -13.1
  1.67 H39    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -    2.5   4.4   2.1   5.0
  0.99 H40    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  2.52 H41    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -    4.1  13.3   4.5  13.3 -14.0    - 
  0.99 H42    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  0.99 H43    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 

13C-1H Js
 -ppm- -#-   H5    H8    H11   H12   H13   H14   H15   H16   H17   H18   H20   H24   H25   H27   H31   H32   H33   H34   H35   H37   H38   H39   H40   H41   H42   H43   
 37.59 C1   -3.9  -4.4   2.1  -2.4  -3.4  -3.9  -3.9  -3.8  -3.8  -3.8   2.4    -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
 48.78 C2    5.1 129.6  -4.8  10.4   1.3   5.1   5.1   3.6   3.6   3.6  -0.9   3.5   5.1    -    0.8    -     -     -     -     -     -     -     -     -     -     - 
 28.96 C3  125.3   5.1    -    1.0   5.0 125.3 125.3   4.8   4.8   4.8    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
 20.81 C4    4.6   4.4    -    4.6   5.0   4.6   4.6 126.3 126.3 126.3    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
 34.49 C6     -   -5.0 133.1  -2.8  -4.8    -     -     -     -     -    5.0    -     -     -    6.2   2.3    -    2.8   5.9    -     -     -     -     -     -     - 
 69.35 C7     -     -    3.7   2.6    -     -     -     -     -     -  139.8  -3.1  -5.5    -     -     -     -     -     -     -     -     -     -     -     -     - 
 69.46 C9     -    3.6  -1.4   0.7   2.9    -     -     -     -     -     -     -     -     -   -4.5  -4.6    -   -4.7  -4.6    -     -    8.5   0.6   1.4   0.6   0.6
 33.65 C10   5.1   2.4  -4.9 136.9 137.5   5.1   5.1   5.0   5.0   5.0    -     -     -     -    0.7    -     -     -     -     -     -     -     -     -     -     - 
 44.72 C19    -    2.2    -     -     -     -     -     -     -     -   -2.8 125.4 127.9    -    6.2   2.1    -     -     -    3.0   6.7    -    4.6    -    4.6   4.6
 41.31 C22    -     -    5.0    -     -     -     -     -     -     -     -     -     -     -    2.5   5.2    -  131.0 122.2   7.6   1.7  -3.8    -   -3.5    -     - 
 36.95 C26    -     -     -     -     -     -     -     -     -     -    4.7  -3.9  -3.4    -   -4.0  -3.5    -     -     -   -3.5  -3.5   8.2  -3.3   1.3  -3.3  -3.3
 49.76 C28    -     -    1.3    -     -     -     -     -     -     -     -    2.9   4.1    -  122.0 129.7    -    6.0   2.2   6.2   1.3    -    4.5    -    4.5   4.5
 37.28 C29    -     -     -     -     -     -     -     -     -     -     -    4.3   3.8    -    1.6   6.1    -    7.6   1.8 128.8 123.2  -3.7   4.8  -4.1   4.8   4.8
 33.72 C30    -     -     -     -     -     -     -     -     -     -     -    5.0   3.6    -    3.5   1.8    -     -     -    1.2   4.3    -  126.3    -  126.3 126.3
 21.75 C36    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -   -3.2  -4.0  -3.2  -4.1 128.7    -  129.5    -     - 
 -ppm- -#-   H5    H8    H11   H12   H13   H14   H15   H16   H17   H18   H20   H24   H25   H27   H31   H32   H33   H34   H35   H37   H38   H39   H40   H41   H42   H43   
1H data (JH-H abs sorted)

4.19 (6.4, 4.2, 4.0, 0.6)
2.58 (12.2, 10.5, 8.5, 0.9)
2.52 (13.3, 13.3, 4.5, 4.1)
2.07 (10.5, 10.4, 0.8, 0.8)
2.01 (12.2, 4.0)
1.95 (13.1, 2.6, 2.3)
1.87 (12.1, 2.6, 2.5, 1.1)
1.78 (14.3, 6.4, 0.9)
1.67 (5.0, 4.4, 2.5, 2.1)
1.61 (10.4, 8.5)
1.58 (13.1, 2.3, 2.1, 1.1)
1.40 (14.3, 4.2, 0.9, 0.8)
1.29 (0.8)
1.21
1.14 (13.3, 13.1, 5.0, 0.8)
0.99
0.96 (13.3, 12.1, 4.4, 0.9)
0.72 (13.1, 0.9)
0.52 (0.9, 0.6)
-0.33
13C data
  9  69.5 (8.5, -4.7, -4.6, -4.6)
  7  69.4 (139.8, -5.5, 3.7, -3.1)
 28  49.8 (129.7, 122.0, 6.2, 6.0)
  2  48.8 (129.6, 10.4, 5.1, 5.1)
 19  44.7 (127.9, 125.4, 6.7, 6.2)
 22  41.3 (131.0, 122.2, 7.6, 5.2)
  1  37.6 (-4.4, -3.9, -3.9, -3.9)
 29  37.3 (128.8, 123.2, 7.6, 6.1)
 26  36.9 (8.2, 4.7, -4.0, -3.9)
  6  34.5 (133.1, 6.2, 5.9, 5.0)
 30  33.7 (126.3, 126.3, 126.3, 5.0)
 10  33.6 (137.5, 136.9, 5.1, 5.1)
  3  29.0 (125.3, 125.3, 125.3, 5.1)
 36  21.8 (129.5, 128.7, -4.1, -4.0)
  4  20.8 (126.3, 126.3, 126.3, 5.0)