FRACTIONS (manually entered): 0.990 0.010 : aplydactone-epi8_1.log aplydactone-epi8_3.log (major structure is shown)
Rel. DFT Energies (kcal/mol): 0.000 2.536

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   
  4.48 H8 
  1.95 H9    3.7
  2.28 H10   2.4 -14.5
  1.79 H11   1.1   2.4   4.4
  2.78 H12    -    4.6  13.6 -14.5
  1.17 H15    -     -     -     -     - 
  1.02 H19    -     -     -     -     -     - 
  1.02 H20    -     -     -     -     -     -     - 
  1.02 H21    -     -     -     -     -     -     -     - 
  1.18 H22    -     -     -     -     -     -    0.7   0.7   0.7
  1.18 H23    -     -     -     -     -     -    0.7   0.7   0.7    - 
  1.18 H24    -     -     -     -     -     -    0.7   0.7   0.7    -     - 
  1.37 H25    -     -     -     -     -     -     -     -     -     -     -     - 
  3.32 H26    -     -     -     -     -     -     -     -     -     -     -     -  -11.3
  1.17 H27    -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  1.75 H29    -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  2.25 H30    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -  -10.9
  1.17 H31    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  2.80 H36    -     -     -     -     -     -     -     -     -     -     -     -    0.6   2.6    -    0.6    -     - 
  2.34 H37    -     -     -    0.8    -     -     -     -     -     -     -     -     -     -     -     -     -     -  -16.7
  2.29 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   
 67.70 C1  153.4  -5.0    -    9.1   3.5    -    6.0   6.0   6.0   5.1   5.1   5.1    -     -     -     -     -     -     -     -     - 
 28.84 C3   -2.0 134.7 123.9  -3.3  -4.8    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
 28.54 C4    6.3  -3.5  -3.8 129.3 128.4    -     -     -     -     -     -     -     -     -     -    3.6    -     -     -     -    3.2
 41.11 C5     -    7.8   1.9  -4.2  -4.6    -     -     -     -     -     -     -   14.7   2.3    -   -4.3  -3.3    -    2.4   8.4  -3.2
 45.00 C6    5.2    -     -    3.9   1.1    -    3.4   3.4   3.4   4.1   4.1   4.1  -2.8  -3.9    -    6.9   3.9    -   -4.4  -2.9  10.7
 39.57 C7   -1.7   5.5   1.3    -     -     -   -3.1  -3.1  -3.1  -3.6  -3.6  -3.6    -    2.8    -     -     -     -    1.6   1.5   2.6
 40.03 C13    -     -     -    7.0   7.2   5.2    -     -     -     -     -     -    1.4  -0.7   5.2 135.6 134.3   5.2    -    0.9    - 
 44.74 C14    -     -     -    0.9   8.3   5.2    -     -     -     -     -     -   -3.7  -4.3   5.2   3.1  15.5   5.2  -0.7    -  150.4
 32.73 C16    -     -     -   -0.6    -     -     -     -     -     -     -     -  135.1 138.3    -     -    1.2    -    9.7   3.8  -0.8
 22.47 C17   1.3    -     -     -     -     -    4.6   4.6   4.6 128.4 128.4 128.4    -     -     -     -     -     -     -     -     - 
 25.03 C18   3.2    -     -     -     -     -  128.3 128.3 128.3   5.0   5.0   5.0    -     -     -     -     -     -     -     -     - 
 49.98 C28    -     -     -     -     -   -4.5    -     -     -     -     -     -    4.1   7.8  -4.5  -4.2  -1.9  -4.5    -    2.5  -1.5
 17.36 C32    -     -     -     -     -  127.9    -     -     -     -     -     -     -     -  127.9   4.1   0.8 127.9    -     -    3.7
213.37 C33    -     -     -     -     -    4.4    -     -     -     -     -     -     -     -    4.4   6.5   3.3   4.4  -6.1  -5.7   3.0
 42.16 C34    -     -     -     -     -     -    0.6   0.6   0.6    -     -     -    5.2   7.4    -     -     -     -  126.2 134.9    - 
 -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)

4.48 (3.7, 2.4, 1.1)
3.32 (11.3, 5.6, 2.6)
2.80 (16.7, 2.6, 0.6, 0.6)
2.78 (14.5, 13.6, 4.6)
2.34 (16.7, 0.8)
2.29 (5.6)
2.28 (14.5, 13.6, 4.4, 2.4)
2.25 (10.9)
1.95 (14.5, 4.6, 3.7, 2.4)
1.79 (14.5, 4.4, 2.4, 1.1)
1.75 (10.9, 0.6)
1.37 (11.3, 0.6)
1.18 (0.7, 0.7, 0.7)
1.17
1.02 (0.7, 0.7, 0.7)

¹³C data

 33 213.4 (6.5, -6.1, -5.7, 4.4)
  1  67.7 (153.4, 9.1, 6.0, 6.0)
 28  50.0 (7.8, -4.5, -4.5, -4.5)
  6  45.0 (10.7, 6.9, 5.2, -4.4)
 14  44.7 (150.4, 15.5, 8.3, 5.2)
 34  42.2 (134.9, 126.2, 7.4, 5.2)
  5  41.1 (14.7, 8.4, 7.8, -4.6)
 13  40.0 (135.6, 134.3, 7.2, 7.0)
  7  39.6 (5.5, -3.6, -3.6, -3.6)
 16  32.7 (138.3, 135.1, 9.7, 3.8)
  3  28.8 (134.7, 123.9, -4.8, -3.3)
  4  28.5 (129.3, 128.4, 6.3, -3.8)
 18  25.0 (128.3, 128.3, 128.3, 5.0)
 17  22.5 (128.4, 128.4, 128.4, 4.6)
 32  17.4 (127.9, 127.9, 127.9, 4.1)

aplydactone-epi8 (0.44Hz/9)