penicilleremophilane B (0.34Hz/18)


FRACTIONS (manually entered): 0.586 0.139 0.221 0.054 (major structure is shown)
Rel. DFT Energies (kcal/mol): 0.333 0.000 1.173 2.208
Gaussian numbering
1H-1H Js
 -ppm- -#-   H13   H14   H16   H17   H18   H19   H20   H21   H22   H23   H24   H26   H30   H31   H32   H34   H35   H36   H37   H38   
  1.97 H13
  2.25 H14 -12.0
  1.25 H16    -     - 
  5.90 H17    -     -     - 
  3.37 H18   1.2    -     -     - 
  4.16 H19    -     -     -     -   -7.7
  2.19 H20    -     -     -     -     -     - 
  2.19 H21    -     -     -     -     -     -     - 
  2.19 H22    -     -     -     -     -     -     -     - 
  5.18 H23    -     -     -     -     -     -   -1.4  -1.4  -1.4
  5.22 H24    -     -     -     -     -     -   -0.8  -0.8  -0.8   1.7
  1.97 H26    -     -    6.9    -     -     -     -     -     -     -     - 
  3.63 H30    -     -     -     -     -     -     -     -     -     -     -    9.5
  1.84 H31    -     -     -     -     -     -     -     -     -     -     -     -    4.3
  1.74 H32    -     -     -     -     -     -     -     -     -     -     -     -    7.9 -12.6
  2.73 H34    -     -     -   -0.9    -     -     -     -     -     -     -     -     -    5.1   4.3
  1.25 H35    -     -     -     -     -     -     -     -     -     -     -    6.9    -     -     -     - 
  2.67 H36    -     -     -   -2.1    -     -     -     -     -     -     -     -     -    5.0  11.6 -16.4    - 
  1.25 H37    -     -     -     -     -     -     -     -     -     -     -    6.9    -     -     -     -     -     - 
  0.55 H38    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
1H data (JH-H abs sorted)

5.90 (2.1, 0.9)
5.22 (1.7, 0.8, 0.8, 0.8)
5.18 (1.7, 1.4, 1.4, 1.4)
4.16 (7.7)
3.63 (9.5, 7.9, 4.3)
3.37 (7.7, 1.2)
2.73 (16.4, 5.1, 4.3, 0.9)
2.67 (16.4, 11.6, 5.0, 2.1)
2.25 (12.0)
2.19 (1.4, 0.8)
1.97 (12.0, 1.2)
1.97 (9.5, 6.9, 6.9, 6.9)
1.84 (12.6, 5.1, 5.0, 4.3)
1.74 (12.6, 11.6, 7.9, 4.3)
1.25 (6.9)
0.55
13C data
  2 194.1
  6 168.0
  9 150.3
  7 127.0
 12 112.1
  3  88.3
 25  72.0
 10  68.3
  5  53.4
  4  47.5
 15  40.2
 29  34.4
 33  30.2
 11  20.5
 27  10.3