cornolactone B (0.18Hz/10)


FRACTIONS (manually entered): 0.247 0.390 0.362 (major structure is shown)
Rel. DFT Energies (kcal/mol): 1.010 1.387 0.000
Gaussian numbering
1H-1H Js
 -ppm- -#-   H10   H12   H13   H15   H17   H18   H20   H22   H23   H24   H25   H26   
  3.51 H10
  4.07 H12    - 
  4.28 H13    -  -12.0
  1.90 H15    -    8.1   5.2
  3.17 H17   9.8    -     -    9.2
  4.76 H18    -     -     -     -    6.2
  2.19 H20    -     -     -    7.2    -     - 
  1.70 H22    -     -     -     -     -    5.3   9.4
  1.21 H23    -     -     -     -     -     -    6.8    - 
  2.52 H24    -     -     -     -     -    1.3   6.8 -14.3    - 
  1.21 H25    -     -     -     -     -     -    6.8    -     -     - 
  1.21 H26    -     -     -     -     -     -    6.8    -     -     -     - 

13C-1H Js
 -ppm- -#-   H10   H12   H13   H15   H17   H18   H20   H22   H23   H24   H25   H26   
167.79 C1   -8.0    -     -     -    7.0   2.2    -     -     -     -     -     - 
 45.71 C2  140.5    -     -    3.1  -2.8    -     -     -     -     -     -     - 
161.71 C5   -7.4   3.5   4.9    -    1.6    -     -     -     -     -     -     - 
 66.03 C7     -  148.0 149.5  -3.0   2.8    -    5.6    -     -     -     -     - 
 44.33 C8    5.2  -1.7  -2.2 133.6  -2.6   4.6  -3.4   1.9   5.1   6.2   5.1   5.1
 44.69 C9   -3.1   4.6   5.4  -3.2 142.1    -    2.1   1.2    -    4.8    -     - 
 35.61 C14    -    2.4   3.0  -3.4   2.6   5.2 129.8  -3.7  -3.8  -2.4  -3.8  -3.8
 82.09 C16   0.8    -     -    3.1  -0.6 158.1   2.4  -0.9    -   -5.3    -     - 
 41.51 C19    -     -     -    2.1   1.4   0.7  -3.4 127.0   5.1 135.8   5.1   5.1
 17.84 C21    -     -     -    4.5    -     -   -3.5   5.0 127.1   2.4 127.1 127.1
 -ppm- -#-   H10   H12   H13   H15   H17   H18   H20   H22   H23   H24   H25   H26   
1H data (JH-H abs sorted)

4.76 (6.2, 5.3, 1.3)
4.28 (12.0, 5.2)
4.07 (12.0, 8.1)
3.51 (9.8)
3.17 (9.8, 9.2, 6.2)
2.52 (14.3, 6.8, 1.3)
2.19 (9.4, 7.2, 6.8, 6.8)
1.90 (9.2, 8.1, 7.2, 5.2)
1.70 (14.3, 9.4, 5.3)
1.21 (6.8)
13C data
  1 167.8 (-8.0, 7.0, 2.2)
  5 161.7 (-7.4, 4.9, 3.5, 1.6)
 16  82.1 (158.1, -5.3, 3.1, 2.4)
  7  66.0 (149.5, 148.0, 5.6, -3.0)
  2  45.7 (140.5, 3.1, -2.8)
  9  44.7 (142.1, 5.4, 4.8, 4.6)
  8  44.3 (133.6, 6.2, 5.2, 5.1)
 19  41.5 (135.8, 127.0, 5.1, 5.1)
 14  35.6 (129.8, 5.2, -3.8, -3.8)
 21  17.8 (127.1, 127.1, 127.1, 5.0)