TABLE 3
1H and 13C NMR (δ) chemical shift assignments of TSOD (M6)
The positional isomers of TSOD could not be differentiated by NMR data. 13C chemical shifts for positions 24 to 30 were not assigned. NMR spectrum shown in Supplemental Fig. S1.
 or  | |||
|---|---|---|---|
| TSOD (M6) | |||
| Chemical Shifts | |||
| 1H (δ) | J (Hz) | 13C (δ) | |
| 2 | 4.09 (m, 1H) | 61.4 | |
| 3 | 5.94 (m, 1H) | 118.9 | |
| 4 | 3.17–3.25 (d, 2H) | 15.2 | 52.6 |
| 6 | 2.23–2.83 (m, 2H) | 48.5 | |
| 7 | 2.21–2.39 (m, 2H) | 23.2 | |
| 8, 20 | 3.56–3.76 (m, 4H) | 14.4, 14.0 | 56.9, 57.8 |
| 9, 21 | 7.28–7.50 (m, 8H) | 126.9 | |
| 10, 22 | 128.5 | ||
| 11, 23 | 129.1 | ||
| 12, 24 | 130.5 | ||
| 13 | 74.9 | ||
| 14 | 3.88 (dd, 1H) | 7.9, 2.5 | 56.8 |
| 15 | 2.05–2.21 (m, 2H) | 23.8 | |
| 16 | 2.44–2.63 (m, 2H) | 48.9 | |
| 17 | 3.37–3.54 (d, 2H) | 16.8 | 52.8 |
| 18 | 4.72 (dd, 1H) | 7.8, 3.8 | 60.4 |
d, doublet; dd, doublet of doublets; m, multiplet.