Table 1.
NMR shifts derived from 1H, dqf-COSY, gHSQC, and gHMBC spectra of natural indolecarboxyl-ascaroside C5 salt in methanol-d4.
| no. | δH mult. (J (Hz)) | δC | HMBC |
|---|---|---|---|
| 1 | 182.34 | ||
| 2a | 2.27, m (J2a,2b=14.2) | 35.48 | C-1,3,4 |
| 2b | 2.41, m | C-1,3,4 | |
| 3a | 1.85, m | 35.21 | C-1,2,4,5 |
| 3b | 1.91, m | C-1,2,4,5 | |
| 4 | 3.88, m | 72.41 | C-2,1′ |
| 5 | 1.19, d (J4,5=6.0) | 18.81 | C-3,4 |
| 1′ | 4.75, br s | 97.16 | C-4,3′,5′ |
| 2′ | 3.80, dt (J1′,2′=2.7) | 69.47 | C-4′ |
| 3′ax | 2.05, ddd (J2′,3′ax=3.4, J3′ax,3′eq=12.7) | 33.17 | C-4′ |
| 3′eq | 2.19, ddd (J2′,3′eq=2.7) | C-1′,4′ | |
| 4′ | 5.11, ddd (J3′ax,4′=11.0, J3′eq,4′=4.7) | 70.36 | C-5′,6′,1″ |
| 5′ | 4.09, dq (J4′,5′=9.7) | 68.51 | C-4′ |
| 6′ | 1.24, d (J5′,6′=6.3) | 18.06 | C-4′,5′ |
| 1″ | 166.36 | ||
| 2″ | 108.11 | ||
| 3″ | 7.99, s | 133.26 | C-2″,4″,5″ |
| 4″ | 138.26 | ||
| 5″ | 127.22 | ||
| 6″ | 8.04, m | 121.64 | C-4″,8″ |
| 7″ | 7.19, m | 122.32 | C-5″,6″ |
| 8″ | 7.20, m | 123.42 | C-4″,9″ |
| 9″ | 7.43, m | 112.75 | C-5″,7″ |