FRACTIONS (manually entered): 0.895 0.105 : aplydactone_1.log aplydactone_3.log (major structure is shown)
Rel. DFT Energies (kcal/mol): 0.000 4.878

Gaussian numbering

¹H-¹H Js
 -ppm- -#-   H8    H9    H10   H11   H12   H15   H19   H20   H21   H22   H23   H24   H25   H26   H27   H29   H30   H31   H36   H37   H38   
  4.50 H8 
  1.97 H9    3.3
  2.26 H10  11.6 -13.6
  2.03 H11    -    2.1   5.5
  2.22 H12    -    6.2  13.8 -14.6
  1.10 H15    -     -     -     -     - 
  1.13 H19    -     -     -     -     -     - 
  1.13 H20    -     -     -     -     -     -     - 
  1.13 H21    -     -     -     -     -     -     -     - 
  1.08 H22    -     -     -     -     -     -     -     -     - 
  1.08 H23    -     -     -     -     -     -     -     -     -     - 
  1.08 H24    -     -     -     -     -     -     -     -     -     -     - 
  1.47 H25    -     -     -     -     -     -     -     -     -     -     -     - 
  2.39 H26    -     -     -     -     -     -     -     -     -     -     -     -  -11.4
  1.10 H27    -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  1.69 H29    -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  2.33 H30    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -  -11.0
  1.10 H31    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  3.04 H36    -     -     -     -     -     -     -     -     -     -     -     -     -    2.6    -    0.6    -     - 
  2.43 H37    -     -     -    0.7    -     -     -     -     -     -     -     -     -     -     -     -     -     -  -17.1
  2.12 H38    -     -     -     -     -     -     -     -     -     -     -     -     -    5.6    -     -     -     -     -     - 

¹³C-¹H Js
 -ppm- -#-   H8    H9    H10   H11   H12   H15   H19   H20   H21   H22   H23   H24   H25   H26   H27   H29   H30   H31   H36   H37   H38   
 66.78 C1  147.4  -4.9  -5.1  11.0   2.6    -    4.6   4.6   4.6   5.4   5.4   5.4    -     -     -     -     -     -     -     -     - 
 31.36 C3   -2.0 134.1 131.2  -3.5  -4.3    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
 34.26 C4    3.0  -4.0  -3.5 129.9 125.2    -     -     -     -     -     -     -     -     -     -    3.7    -     -     -     -    3.3
 41.20 C5     -    7.7   1.4  -4.3  -4.7    -     -     -     -     -     -     -   14.6   2.2    -   -4.3  -3.4    -    2.4   8.4  -3.1
 49.10 C6    1.6    -     -    4.1   1.3    -    3.8   3.8   3.8   4.2   4.2   4.2  -2.6  -3.8    -    6.8   3.9    -   -4.5  -3.0  10.6
 40.91 C7   -1.7   4.9   2.8    -     -     -   -3.5  -3.5  -3.5  -3.5  -3.5  -3.5    -    2.7    -     -     -     -    1.5   1.5   2.4
 40.02 C13    -     -     -    7.0   6.7   5.2    -     -     -     -     -     -    1.4  -0.6   5.2 135.5 135.5   5.2    -    0.9    - 
 45.18 C14    -     -     -    1.2   8.6   5.3    -     -     -     -     -     -   -3.6  -4.3   5.3   3.2  16.1   5.3  -0.7    -  150.1
 31.23 C16    -     -     -   -0.7    -     -     -     -     -     -     -     -  137.0 133.1    -     -    1.3    -   10.2   4.0  -0.9
 21.15 C17   2.3    -     -     -     -     -    4.6   4.6   4.6 128.0 128.0 128.0    -     -     -     -     -     -     -     -     - 
 17.03 C18   4.8    -     -     -     -     -  128.1 128.1 128.1   4.6   4.6   4.6    -     -     -     -     -     -     -     -     - 
 49.72 C28    -     -     -     -     -   -4.5    -     -     -     -     -     -    3.9   7.4  -4.5  -4.2  -1.8  -4.5    -    2.5  -1.6
 17.14 C32    -     -     -     -     -  128.0    -     -     -     -     -     -     -     -  128.0   4.1   0.8 128.0    -     -    3.7
212.30 C33    -     -     -     -     -    4.3    -     -     -     -     -     -     -     -    4.3   6.5   3.4   4.3  -6.2  -5.7   3.0
 42.52 C34    -     -     -     -     -     -    0.6   0.6   0.6    -     -     -    4.8   6.9    -     -     -     -  127.5 135.1    - 
 -ppm- -#-   H8    H9    H10   H11   H12   H15   H19   H20   H21   H22   H23   H24   H25   H26   H27   H29   H30   H31   H36   H37   H38

¹H data (J_H-H abs sorted)

4.50 (11.6, 3.3)
3.04 (17.1, 2.6, 0.6)
2.43 (17.1, 0.7)
2.39 (11.4, 5.6, 2.6)
2.33 (11.0)
2.26 (13.8, 13.6, 11.6, 5.5)
2.22 (14.6, 13.8, 6.2)
2.12 (5.6)
2.03 (14.6, 5.5, 2.1, 0.7)
1.97 (13.6, 6.2, 3.3, 2.1)
1.69 (11.0, 0.6)
1.47 (11.4)
1.13
1.10
1.08

¹³C data

 33 212.3 (6.5, -6.2, -5.7, 4.3)
  1  66.8 (147.4, 11.0, 5.4, 5.4)
 28  49.7 (7.4, -4.5, -4.5, -4.5)
  6  49.1 (10.6, 6.8, -4.5, 4.2)
 14  45.2 (150.1, 16.1, 8.6, 5.3)
 34  42.5 (135.1, 127.5, 6.9, 4.8)
  5  41.2 (14.6, 8.4, 7.7, -4.7)
  7  40.9 (4.9, -3.5, -3.5, -3.5)
 13  40.0 (135.5, 135.5, 7.0, 6.7)
  4  34.3 (129.9, 125.2, -4.0, 3.7)
  3  31.4 (134.1, 131.2, -4.3, -3.5)
 16  31.2 (137.0, 133.1, 10.2, 4.0)
 17  21.2 (128.0, 128.0, 128.0, 4.6)
 32  17.1 (128.0, 128.0, 128.0, 4.1)
 18  17.0 (128.1, 128.1, 128.1, 4.8)

aplydactone (0.37Hz/7)