Table 2.
NMR Dataa of Mycothiazole-4,19-diol (6) in DMSO-d6
| position | δC | δH mult, J (Hz) | gHMBCb |
|---|---|---|---|
| 1 | 156.6 | ||
| 2 | 36.1 | 2.98 m | |
| 3 | 36.7 | 1.55 m | |
| 4 | 73.7 | ||
| 5 | 135.0 | 5.35 bd, 16 | 4,7 |
| 6 | 129.8 | 5.62 m | 4 |
| 7 | 35.2 | 1.98 m | 5, 6, 8 |
| 1.85 m | |||
| 8 | 77.3 | 3.57 m | |
| 9 | 45.3 | ||
| 10 | 177.7 | ||
| 11 | 112.8 | 7.07 bs | 12, 13 |
| 12 | 154.0 | ||
| 13 | 29.2 | 3.45 d, 7.5 | 11, 12, 14, 15 |
| 14 | 127.6c | 5.69 dtt, 10.7, 7.3, 1.5 | |
| 15 | 127.9c | 5.51 dtt, 10.6, 7.3, 1.7 | |
| 16 | 31.3 | 2.87 dddt, 7.5, 6.0, 1.5, 2.0 | 14, 15, 17, 18 |
| 17 | 136.7 | 5.82 ddt, 16.8, 10.3, 6.2 | |
| 18 | 115.1 | 5.06 ddt, 16.9, 2.0, 1.8 | 16 |
| 4.98 ddt, 10.3, 2.0, 1.8 | |||
| 19 | 68.8 | 3.16 bt, 5 | 5 |
| 20 | 25.9d | 1.32 s | 8, 9, 10, 21 |
| 21 | 23.6d | 1.29 s | 8, 9, 10, 20 |
| O-Me | 51.1 | 3.48 s | 1 |
| NH | 6.87 bt, 5.5 | ||
| OH-4 | 4.27 d, 3.7 | 3, 4, 5, 19 | |
| OH-8 | 4.52 m | ||
| OH-19 | 4.81 bt, 6.3 |
500/125 MHz 1H/13C.
δH to δC.
Interchangeable assignments.