galiellalactone (0.33Hz/17)


FRACTIONS (manually entered): 0.492 0.349 0.160 (major structure is shown)
Rel. DFT Energies (kcal/mol): 0.000 1.706 1.733
Gaussian numbering
1H-1H Js
 -ppm- -#-   H13   H14   H17   H18   H19   H20   H21   H22   H23   H24   H25   H26   H27   H28   
  2.52 H13
  4.58 H14    - 
  6.98 H17    -     - 
  2.19 H18   7.3    -     - 
  1.03 H19   5.0    -     -  -13.4
  2.76 H20    -     -    3.6   6.9   7.7
  2.12 H21    -    7.5    -     -     -     - 
  1.84 H22    -    2.3    -     -     -     -  -14.2
  1.83 H23   7.1   0.9    -     -     -     -    7.2   2.9
  1.26 H24  10.7    -     -     -     -     -   11.0   7.2 -12.6
  1.22 H25    -     -     -     -     -    7.4    -     -     -     - 
  1.22 H26    -     -     -     -     -    7.4    -     -     -     -     - 
  1.22 H27    -     -     -     -     -    7.4    -     -     -     -     -     - 
  0.72 H28    -     -     -     -     -     -     -     -     -     -     -     -     - 

13C-1H Js
 -ppm- -#-   H13   H14   H17   H18   H19   H20   H21   H22   H23   H24   H25   H26   H27   H28   
151.41 C1     -     -  165.4   5.3   3.3  -7.7    -     -     -     -    5.7   5.7   5.7    - 
134.47 C2    3.5   1.0  -1.6    -     -    5.2    -     -     -     -     -     -     -     - 
 82.09 C3   -6.0  -3.4   7.0   2.7   3.4  -1.2   2.1   3.5   8.3   1.6    -     -     -     - 
 44.12 C4  132.5   1.0  -0.6  -3.3  -4.0   3.2   2.0   6.9  -2.8  -4.0    -     -     -     - 
 32.99 C5   -2.2    -    3.4 129.9 130.2  -4.9    -     -    1.6   3.8   5.0   5.0   5.0    - 
 31.26 C6    2.8    -    3.9  -3.5  -3.9 131.1    -     -     -     -   -3.7  -3.7  -3.7    - 
 87.29 C7    0.7 160.2    -     -     -     -   -1.6  -5.5   6.5   2.4    -     -     -     - 
 31.72 C8    1.6    -     -     -     -     -  129.4 135.4  -3.0  -3.7    -     -     -     - 
 31.66 C9   -3.8   5.0    -    4.3   5.2    -   -3.5  -3.0 133.4 129.3    -     -     -     - 
166.94 C10    -    4.4   5.1    -     -   -1.9    -     -     -     -     -     -     -     - 
 18.93 C12    -     -    4.8   3.0   4.0  -4.9    -     -     -     -  128.0 128.0 128.0    - 
 -ppm- -#-   H13   H14   H17   H18   H19   H20   H21   H22   H23   H24   H25   H26   H27   H28   
1H data (JH-H abs sorted)

6.98 (3.6)
4.58 (7.5, 2.3, 0.9)
2.76 (7.7, 7.4, 6.9, 3.6)
2.52 (10.7, 7.3, 7.1, 5.0)
2.19 (13.4, 7.3, 6.9)
2.12 (14.2, 11.0, 7.5, 7.2)
1.84 (14.2, 7.2, 2.9, 2.3)
1.83 (7.2, 7.1, 2.9, 0.9)
1.26 (12.6, 11.0, 10.7, 7.2)
1.22 (7.4)
1.03 (13.4, 7.7, 5.0)
0.72
13C data
 10 166.9 (5.1, 4.4, -1.9)
  1 151.4 (165.4, -7.7, 5.7, 5.7)
  2 134.5 (5.2, 3.5, -1.6, 1.0)
  7  87.3 (160.2, 6.5, -5.5, 2.4)
  3  82.1 (8.3, 7.0, -6.0, 3.5)
  4  44.1 (132.5, 6.9, -4.0, -4.0)
  5  33.0 (130.2, 129.9, 5.0, 5.0)
  8  31.7 (135.4, 129.4, -3.7, -3.0)
  9  31.7 (133.4, 129.3, 5.2, 5.0)
  6  31.3 (131.1, 3.9, -3.9, -3.7)
 12  18.9 (128.0, 128.0, 128.0, -4.9)