Table 1.
Position | Chemical Shift (ppm)a | [1-13C] acetate | [2-13C] acetate | 1Jcc values from[1, 213C2]acetate (Hz) | [CH3-13C] methionine |
---|---|---|---|---|---|
1 | 167.5 | 20.6 | 0.6 | 77.4 | 0.0 |
2 | 118.3 | 0.2 | 9 | 77.4 | −0.1 |
3 | 152.1 | 32.8 | 1.3 | 52.1 | 0.5 |
4 | 134.1 | 1.0 | 9.2 | 52.1 | −0.2 |
5 | 132.6 | 12.8 | 0.4 | 41.2 | −0.3 |
6 | 44.1 | 0.6 | 11.8 | 41.4 | 0.1 |
7 | 73.1 | 16.9 | 0.6 | 38.3 | −0.2 |
8 | 43.8 | 0.3 | 10.0 | 38.3 | −0.1 |
9 | 141.5 | 15.4 | 0.2 | 54.4 | −0.2 |
10 | 132.4 | 1.2 | 5.5 | 54.4 | −0.4 |
11 | 133.4 | 17.5 | 0.7 | 41.4 | −0.1 |
12 | 48.3 | 0.2 | 10.2 | 41.4 | 0.0 |
13 | 76.7 | ||||
14 | 34.8 | 0.1 | 8.6 | 31.4 | −0.2 |
15 | 79.6 | 19.7 | 0.6 | 39.1 | −0.4 |
16 | 86.9 | 0.4 | 10.3 | 39.1 | −0.1 |
17 | 69.7 | 15.7 | 0.4 | 49.8 | −0.3 |
18 | 127 | −0.3 | 8.6 | 49.8 | −0.1 |
19 | 137.4 | 11.6 | 0.3 | 41.4 | −0.4 |
20 | 42.3 | 0.2 | 11 | 41.4 | 0.0 |
21 | 77.5 | 9.1 | 0.4 | 37.4 | −0.4 |
22 | 40.4 | −0.4 | 5.2 | 38.3 | −0.6 |
23 | 81.6 | 19.1 | 1.4 | 39.1 | 0.2 |
24 | 35.1 | −0.3 | 7.4 | 39.4 | −0.2 |
25 | 77.8 | 12.2 | 0.3 | 38.3 | −0.4 |
26 | 41.5 | 0.0 | 9.7 | 38.3 | −0.2 |
27 | 73.8 | 11.1 | 0.4 | 39.1 | −0.2 |
28 | 39.2 | −0.3 | 6.3 | 39.1 | −0.3 |
29 | 70.5 | 8.6 | 0.0 | 39.1 | −0.5 |
30 | 39.3 | −0.4 | 4.3 | 38.3 | −0.5 |
31 | 138.3 | 0.4 | 0.0 | −0.5 | |
32 | 158.4 | −0.2 | −0.1 | −0.7 | |
33 | 78.8 | 0.2 | 0.1 | −0.5 | |
34 | 13.9 | 0.5 | 9.0 | 39 | −0.3 |
35 | 113.8 | 1.2 | 16.7 | 71.3 | 0.6 |
36 | 16.8 | 0.0 | 5.8 | 42.2 | −0.4 |
37 | 21 | 1.7 | 0.8 | 10.9 | |
38 | 17.3 | 0.2 | 9.9 | 43.8 | 0.1 |
39 | 13.7 | 0.8 | 0.8 | 8.8 | |
40 | 21.6 | 0.6 | 0.2 | 6.5 | |
41 | 5 | 0.2 | 0.0 | 5.3 | |
42 | 122.1 | −0.4 | 3.5 | −0.5 | |
43 | 55.6 | 0.0 | 0.0 | 4.7 | |
44 | 173.7 | 8.6 | 0.2 | 57.5 | −0.5 |
Referenced to δCDCl3 at δ77.0. Bolded numbers indicate positions of 13C enrichment in phormidolide.