phyllostacin J [ JHH 0.29Hz/11 ] - [ 1H 0.26ppm/18 ] - [ 13C 1.36ppm/20 ]

Gaussian numbering 
1H-1H Js
 -ppm- -#-   H22   H23   H24   H28   H32   H33   H34   H35   H36   H37   H38   H39   H40   H41   H42   H43   H44   H45   H46   H47   H48   H49   H50   H51   H52   H53   
  2.14 H22
  3.66 H23   0.9
  5.01 H24    -     - 
  2.63 H28    -     -     - 
  5.58 H32   1.2    -     -     - 
  2.41 H33    -    1.2   9.3    -     - 
  2.38 H34    -    4.5   2.2    -     -  -15.0
  2.20 H35    -     -     -    5.1    -     -     - 
  1.55 H36    -     -     -   13.5    -     -     -  -12.7
  1.78 H37    -     -     -     -     -     -     -    7.1  11.7
  2.23 H38    -     -     -     -     -     -     -    1.0   8.0 -14.6
  2.49 H39    -     -     -     -     -     -     -     -     -    1.0  10.2
  2.96 H40    -     -     -     -     -     -     -     -     -    1.4    -    4.1
  2.25 H41    -     -     -     -     -     -     -     -     -     -     -    1.2 -11.9
  1.03 H42    -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  1.03 H43    -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  1.03 H44    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  1.29 H45    -     -     -     -     -     -     -     -     -     -     -     -     -     -    0.7   0.7   0.7
  1.29 H46    -     -     -     -     -     -     -     -     -     -     -     -     -     -    0.7   0.7   0.7    - 
  1.29 H47    -     -     -     -     -     -     -     -     -     -     -     -     -     -    0.7   0.7   0.7    -     - 
  5.54 H48    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  1.41 H49    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  1.30 H50    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  1.44 H51    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  1.44 H52    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
  1.44 H53    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 

13C-1H Js
 -ppm- -#-   H22   H23   H24   H28   H32   H33   H34   H35   H36   H37   H38   H39   H40   H41   H42   H43   H44   H45   H46   H47   H48   H49   H50   H51   H52   H53   
 99.73 C1    5.0   6.2   6.6   4.8 184.1    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -    3.4    -     -     -     -     - 
 32.76 C2     -   -1.3  -2.0   0.9    -  130.6 139.3    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
 74.80 C3    2.7 154.7   2.4    -    4.3    -   -5.4    -     -     -     -     -     -     -    4.4   4.4   4.4   4.8   4.8   4.8    -     -     -     -     -     - 
 37.24 C4   -2.9  -1.5    -     -     -    1.4   6.6    -     -     -     -     -     -     -   -3.5  -3.5  -3.5  -3.6  -3.6  -3.6   2.2    -     -     -     -     - 
 51.02 C5  144.5   4.6    -     -    3.3    -     -     -     -     -     -     -     -     -    5.2   5.2   5.2   3.2   3.2   3.2   2.2    -     -     -     -     - 
 49.75 C6   -3.1    -     -   -5.2   1.2   2.0   1.2   1.0   2.7    -    0.7    -     -     -     -     -     -     -     -     -    3.5    -     -     -     -     - 
 69.60 C7     -    7.9 151.7   4.9    -   -1.8  -6.1    -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     -     - 
 38.84 C8    2.1    -    2.3 137.5   1.4    -     -   -3.4  -4.7   1.0   8.9    -    6.1   2.5    -     -     -     -     -     -     -     -     -     -     -     - 
 56.92 C9     -     -     -   -2.7    -     -     -    7.4   1.5    -     -    4.9  -2.9  -2.7    -     -     -     -     -     -     -     -     -     -     -     - 
168.65 C10    -     -    0.8   1.9    -     -     -     -     -     -     -    0.9   2.5   0.8    -     -     -     -     -     -     -     -     -     -     -     - 
 19.58 C12    -     -     -   -4.6    -     -     -  137.5 124.7  -3.4  -3.7   4.1   1.1    -     -     -     -     -     -     -     -     -     -     -     -     - 
 23.81 C13    -     -     -    2.2    -     -     -   -3.6  -4.1 129.3 129.6  -2.8   7.4   2.6    -     -     -     -     -     -     -     -     -     -     -     - 
 40.89 C14    -     -     -     -     -     -     -    6.4   0.6  -3.6  -3.8 141.5  -3.4  -2.3    -     -     -     -     -     -     -     -     -    3.1   3.1   3.1
 32.71 C15    -     -     -    2.3    -     -     -    1.1    -    4.9    -   -2.1 141.1 135.3    -     -     -     -     -     -     -     -     -     -     -     - 
 27.41 C16   6.5    -     -     -     -    0.8   1.0    -     -     -     -     -     -     -  127.5 127.5 127.5   5.3   5.3   5.3    -     -     -     -     -     - 
 23.95 C17   0.6   3.6    -     -     -     -     -     -     -     -     -     -     -     -    4.8   4.8   4.8 128.8 128.8 128.8    -     -     -     -     -     - 
 99.93 C19  -2.5    -     -     -    8.6    -     -     -     -     -     -     -     -     -     -     -     -    1.3   1.3   1.3 176.9    -     -     -     -     - 
213.23 C26    -     -     -    5.8    -     -     -     -     -     -     -    8.7   1.2   9.8    -     -     -     -     -     -     -     -     -    3.8   3.8   3.8
 78.29 C27    -     -     -     -     -     -     -     -     -    5.4   7.8  -4.7   1.0   5.3    -     -     -     -     -     -     -     -     -   -4.2  -4.2  -4.2
 18.32 C31    -     -     -     -     -     -     -     -     -     -     -    0.8    -     -     -     -     -     -     -     -     -     -     -  128.7 128.7 128.7
 -ppm- -#-   H22   H23   H24   H28   H32   H33   H34   H35   H36   H37   H38   H39   H40   H41   H42   H43   H44   H45   H46   H47   H48   H49   H50   H51   H52   H53   
1H data (JH-H abs sorted)

5.58 (1.2)
5.54
5.01 (9.3, 2.2)
3.66 (4.5, 1.2, 0.9)
2.96 (11.9, 4.1, 1.4)
2.63 (13.5, 5.1)
2.49 (10.2, 4.1, 1.2, 1.0)
2.41 (15.0, 9.3, 1.2)
2.38 (15.0, 4.5, 2.2)
2.25 (11.9, 1.2)
2.23 (14.6, 10.2, 8.0, 1.0)
2.20 (12.7, 7.1, 5.1, 1.0)
2.14 (1.2, 0.9)
1.78 (14.6, 11.7, 7.1, 1.0)
1.55 (13.5, 12.7, 11.7, 8.0)
1.44
1.41
1.30
1.29 (0.7, 0.7, 0.7)
1.03 (0.7, 0.7, 0.7)
13C data
 26 213.2 (9.8, 8.7, 5.8, 3.8)
 10 168.7 (2.5, 1.9, 0.9, 0.8)
 19  99.9 (176.9, 8.6, -2.5, 1.3)
  1  99.7 (184.1, 6.6, 6.2, 5.0)
 27  78.3 (7.8, 5.4, 5.3, -4.7)
  3  74.8 (154.7, -5.4, 4.8, 4.8)
  7  69.6 (151.7, 7.9, -6.1, 4.9)
  9  56.9 (7.4, 4.9, -2.9, -2.7)
  5  51.0 (144.5, 5.2, 5.2, 5.2)
  6  49.8 (-5.2, 3.5, -3.1, 2.7)
 14  40.9 (141.5, 6.4, -3.8, -3.6)
  8  38.8 (137.5, 8.9, 6.1, -4.7)
  4  37.2 (6.6, -3.6, -3.6, -3.6)
  2  32.8 (139.3, 130.6, -2.0, -1.3)
 15  32.7 (141.1, 135.3, 4.9, 2.3)
 16  27.4 (127.5, 127.5, 127.5, 6.5)
 17  24.0 (128.8, 128.8, 128.8, 4.8)
 13  23.8 (129.6, 129.3, 7.4, -4.1)
 12  19.6 (137.5, 124.7, -4.6, 4.1)
 31  18.3 (128.7, 128.7, 128.7, 0.8)
[ Notes ]
Additional scaling using exp shifts:
  • 1H shifts scaled: m= 1.080 b=0.02 (rmsd=0.26ppm/18 + TMS & C6H6)
  • 13C shifts scaled: m= 1.000 b=0.58 (rmsd=1.36ppm/20 + TMS & C6H6)
  • several J's are revised based on author's raw (FID) data; most notably 3.06ppm, dd (12.2,5.0) -> (12.7,5.4)
  • four additional J's added from the raw data.