gelsemine (0.16Hz/15)


FRACTIONS (manually entered): 0.431 0.569 (major structure is shown)
Rel. DFT Energies (kcal/mol): 0.000 0.212
Gaussian numbering
1H-1H Js
 -ppm- -#-   H25   H26   H27   H28   H29   H30   H31   H32   H33   H34   H35   H36   H37   H38   H39   H40   H41   H42   H43   H44   H45   H46   
  6.22 H25
  6.62 H26    - 
  7.18 H27    -    7.7
  7.00 H28    -    1.1   7.5
  7.47 H29    -    0.6   1.3   7.8
  1.97 H30    -     -     -     -     - 
  3.19 H31    -     -     -     -     -     - 
  1.80 H32    -     -     -     -     -     -  -14.3
  3.73 H33    -     -     -     -     -    1.5   2.8   2.9
  2.44 H34    -     -     -     -     -    1.5   1.0   5.6   1.1
  2.37 H35    -     -     -     -     -    1.4   1.0    -     -    8.2
  3.35 H36    -     -     -     -     -    1.5    -     -     -     -     - 
  2.43 H37    -     -     -     -     -     -     -     -     -     -     -     - 
  2.62 H38    -     -     -     -     -     -     -     -     -     -     -    0.6 -10.2
  6.19 H39    -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  3.87 H40    -     -     -     -     -     -     -     -     -     -    2.1    -     -     -     - 
  4.05 H41    -     -     -     -     -     -     -     -     -     -    2.1    -     -     -     -  -10.8
  2.30 H42    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  2.30 H43    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  2.30 H44    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  5.27 H45    -     -     -     -     -     -     -     -     -     -     -     -     -     -   11.0    -     -     -     -     - 
  5.09 H46    -     -     -     -     -     -     -     -     -     -     -     -     -     -   17.7    -     -     -     -     -    1.4
1H data (JH-H abs sorted)

7.47 (7.8, 1.3, 0.6)
7.18 (7.7, 7.5, 1.3)
7.00 (7.8, 7.5, 1.1)
6.62 (7.7, 1.1, 0.6)
6.22
6.19 (17.7, 11.0)
5.27 (11.0, 1.4)
5.09 (17.7, 1.4)
4.05 (10.8, 2.1)
3.87 (10.8, 2.1)
3.73 (2.9, 2.8, 1.5, 1.1)
3.35 (1.5, 0.6)
3.19 (14.3, 2.8, 1.0, 1.0)
2.62 (10.2, 0.6)
2.44 (5.6, 1.5, 1.1, 1.0)
2.43 (10.2)
2.37 (8.2, 2.1, 1.4, 1.0)
2.30
1.97 (1.5, 1.5, 1.5, 1.4)
1.80 (14.3, 5.6, 2.9)
13C data
  4 177.4
 21 142.8
  2 140.9
  9 133.7
  8 130.2
  6 128.1
  7 121.2
 24 111.4
  5 107.0
 18  72.4
 13  70.4
 20  65.7
 22  60.5
 19  56.0
 10  55.6
 11  52.1
 17  41.5
 23  37.9
 16  35.9
 12  23.0