TABLE 2.
13C NMR and 1H NMR data of 2, 3, and 5 [D2O, 3-trimethylsilyl[2,2,3,3-2H4]propionate, δ(ppm) (J = HZ)]
|
No.c
|
TLM
K-2a
|
TLM
K-3a
|
TLM
K-5bδH
|
||
|---|---|---|---|---|---|
| δC | δH | δC | δH | ||
| 41 | 178.0 | —d | |||
| 42 | 75.2 | 5.38 s | — | ||
| 43 | 175.9 | — | |||
| 44 | 149.9 | 8.18 s | — | 8.24 s | 8.21 s |
| 45 | 165.7 | — | |||
| 46 | 165.7 | — | |||
| 47 | 151.6 | 8.21 s | — | 8.32 s | 8.30 s |
| 48 | 166.0 | — | |||
| 49 | 172.1 | — | |||
| 57 | 41.47 | 3.47 m | 41.47 | 3.49 m | 3.45 t (6.0) |
| 58 | 27.3 | 1.75 me | 27.3 | 1.75 me | 2.08 m |
| 59 | 32.0 | 1.77 me | 32.0 | 1.77 me | 3.20 t (6.5) |
| 60 | 51.3 | 3.66 m | 51.3 | 3.68 m | 1.82 me |
| 61 | 39.4 | 2.63 m | 39.4 | 2.67 m | 3.17 m |
| 62 | 174.7 | — | 1.82 me | ||
| 63 | 38.9 | 3.14 m | 38.9 | 3.17 m | 3.08 t (6.5) |
| 64 | 28.1 | 1.80 me | 28.1 | 1.80 me | |
| 65 | 47.9 | 2.90 t (8.0) | 47.9 | 2.91 t (8.0) | |
| 66 | 49.7 | 2.98 me | 49.7 | 3.00 me | |
| 67 | 25.5 | 1.71 me | 25.5 | 1.71 me | |
| 68 | 26.7 | 1.69 me | 26.7 | 1.69 me | |
| 69 | 41.53 | 3.00 me | 41.53 | 3.02 me | |
a
Assignment confirmed by 1H-1H COSY, total correlation spectroscopy, heteronuclear single quantum coherence, and heteronuclear multiple bond correlation spectra obtained at 500 MHz and 125 MHz.
b
Assignment confirmed by 1H NMR and 1H-1H COSY obtained at 500 MHz.
c
H and C numbering is based on TLM A and TLM B.
d
Not assigned.
e
Overlapped signal.