FRACTIONS (manually entered): 0.923 0.077 (major structure is shown)
Rel. DFT Energies (kcal/mol): 0.000 1.379

Gaussian numbering

¹H-¹H Js
 -ppm- -#-   H19   H20   H21   H22   H23   H24   H25   H26   H27   H28   H29   H30   H31   H32   H33   H34   H35   H36   
  4.22 H19
  3.10 H20   2.3
  2.72 H21    -     - 
  1.94 H22    -     -  -15.6
  2.22 H23    -     -    1.9  11.6
  2.35 H24    -     -    6.6   1.5 -20.4
  5.97 H25    -     -    0.9    -    3.4   5.3
  2.93 H26    -     -     -     -     -     -     - 
  2.49 H27   2.0   6.8    -     -     -     -     -     - 
  2.08 H28    -     -     -     -    2.4   2.2  -1.5    -     - 
  2.08 H29    -     -     -     -    2.4   2.2  -1.5    -     -     - 
  2.08 H30    -     -     -     -    2.4   2.2  -1.5    -     -     -     - 
  1.16 H31    -     -     -     -     -     -     -     -     -     -     -     - 
  1.16 H32    -     -     -     -     -     -     -     -     -     -     -     -     - 
  1.16 H33    -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  1.09 H34    -     -     -     -     -     -     -     -     -     -     -     -    0.7   0.7   0.7
  1.09 H35    -     -     -     -     -     -     -     -     -     -     -     -    0.7   0.7   0.7    - 
  1.09 H36    -     -     -     -     -     -     -     -     -     -     -     -    0.7   0.7   0.7    -     - 

¹³C-¹H Js
 -ppm- -#-   H19   H20   H21   H22   H23   H24   H25   H26   H27   H28   H29   H30   H31   H32   H33   H34   H35   H36   
 82.72 C1  165.8    -     -     -     -     -     -    1.8   7.3    -     -     -    5.6   5.6   5.6   3.5   3.5   3.5
 53.46 C2    1.0 155.5   4.9   0.8    -     -     -   -3.1   9.3    -     -     -     -     -     -     -     -     - 
 63.04 C3    3.6  -1.4  -5.0  -4.0   4.4   9.6    -   14.6  -0.8    -     -     -     -     -     -     -     -     - 
 22.87 C4     -    1.2 132.8 129.6  -3.9  -3.7   7.3    -    1.8    -     -     -     -     -     -     -     -     - 
 30.06 C5     -     -   -4.2  -4.0 127.7 128.9   3.1    -     -     -     -     -     -     -     -     -     -     - 
135.12 C6     -     -    9.4   4.6  -7.6  -8.2 155.4    -     -    6.0   6.0   6.0    -     -     -     -     -     - 
139.85 C7     -     -     -     -    6.2   6.6  -1.9   1.4    -   -6.3  -6.3  -6.3    -     -     -     -     -     - 
210.80 C8     -    1.3    -     -   -1.4  -1.2  11.4  -4.8   1.7   3.5   3.5   3.5    -     -     -     -     -     - 
 54.53 C9     -   -0.8    -     -     -     -     -  140.9  -1.0    -     -     -     -     -     -     -     -     - 
 63.52 C10   4.4  10.4   0.6   5.6    -     -     -   -3.9 158.0    -     -     -    4.2   4.2   4.2   4.8   4.8   4.8
 43.75 C11    -    4.7    -     -     -     -     -    3.0   1.3    -     -     -   -3.7  -3.7  -3.7  -3.7  -3.7  -3.7
176.64 C12   7.7    -    6.3   6.7    -     -     -    3.1    -     -     -     -     -     -     -     -     -     - 
 22.99 C13    -     -     -     -   -1.4  -1.0   7.1    -     -  130.2 130.2 130.2    -     -     -     -     -     - 
 20.29 C14   3.2    -     -     -     -     -     -     -     -     -     -     -  127.6 127.6 127.6   4.9   4.9   4.9
 20.61 C15    -     -     -     -     -     -     -     -    1.6    -     -     -    4.6   4.6   4.6 128.7 128.7 128.7
 -ppm- -#-   H19   H20   H21   H22   H23   H24   H25   H26   H27   H28   H29   H30   H31   H32   H33   H34   H35   H36

¹H data (J_H-H abs sorted)

5.97 (5.3, 3.4, 1.5, 0.9)
4.22 (2.3, 2.0)
3.10 (6.8, 2.3)
2.93
2.72 (15.6, 6.6, 1.9, 0.9)
2.49 (6.8, 2.0)
2.35 (20.4, 6.6, 5.3, 1.5)
2.22 (20.4, 11.6, 3.4, 1.9)
2.08 (2.4, 2.2, 1.5)
1.94 (15.6, 11.6, 1.5)
1.16 (0.7, 0.7, 0.7)
1.09 (0.7, 0.7, 0.7)

¹³C data

  8 210.8 (11.4, -4.8, 3.5, 3.5)
 12 176.6 (7.7, 6.7, 6.3, 3.1)
  7 139.8 (6.6, -6.3, -6.3, -6.3)
  6 135.1 (155.4, 9.4, -8.2, -7.6)
  1  82.7 (165.8, 7.3, 5.6, 5.6)
 10  63.5 (158.0, 10.4, 5.6, 4.8)
  3  63.0 (14.6, 9.6, -5.0, 4.4)
  9  54.5 (140.9, -1.0, -0.8)
  2  53.5 (155.5, 9.3, 4.9, -3.1)
 11  43.8 (4.7, -3.7, -3.7, -3.7)
  5  30.1 (128.9, 127.7, -4.2, -4.0)
 13  23.0 (130.2, 130.2, 130.2, 7.1)
  4  22.9 (132.8, 129.6, 7.3, -3.9)
 15  20.6 (128.7, 128.7, 128.7, 4.6)
 14  20.3 (127.6, 127.6, 127.6, 4.9)

aquatolide (0.31Hz/23)