Appendix 1—table 4. NMR spectroscopic data for iglu#3 (34).
1H (600 MHz), HSQC, and HMBC NMR spectroscopic data were acquired in methanol-d4. Chemical shifts were referenced to δ(CHD2OD)=3.31 ppm and δ(13CHD2OD)=49.00 ppm.
 | |||
|---|---|---|---|
| Position | δ 13C [ppm] | δ 1H ([ppm] JHH[Hz]) | HMBC |
| 1 | 86.9 | 5.51 (J1,2 = 9.3) | C-2, C-3, C-5, C-2’, C-9’ |
| 2 | 73.0 | 3.99 (J2,3 = 9.0) | C-1, C-3 |
| 3 | 78.7 | 3.65 (J3,4 = 9.0) | C-4 |
| 4 | 71.3 | 3.64 (J4,5 = 9.1) | C-3 |
| 5 | 77.5 | 3.91 (J5,6a = 5.5) | C-4 |
| 6a | 64.1 | 4.43 (J6a,6b = 12.1) | C-5, C-1′′ |
| 6b | 4.67 (J5,6b = 2.2) | C-4, C-1′′ | |
| 2′ | 126.3 | 7.37 (J2’,3’=3.3) | C-1 (weak), C-3', C-4’, C-8’ (weak), C-9’ |
| 3′ | 102.9 | 6.48 | |
| 4′ | 130.4 | ||
| 5′ | 121.4 | 7.52 (J5’,6’=8.0) | C-3’, C-7’, C-9’ |
| 6′ | 120.8 | 7.03 (J6’,7’=7.4,
J3’,6’=1.1) |
C-4’, C-8’ |
| 7′ | 122.4 | 7.06 | C-5’, C-9’ |
| 8′ | 111.5 | 7.53 | C-4’, C-6’ |
| 9′ | 137.5 | ||
| 1′′ | 168.6 | ||
| 2′′ | 112.8 | ||
| 3′′ | 132.1 | 7.90 (J3’’,4’’=8.2,
J3’’,5’’=1.4) |
C-1’’, C-5’’, C-7’’ |
| 4′′ | 118.2 | 6.73 (J4’’,5’’=7.6) | C-2’’, C-6’’ |
| 5′′ | 135.0 | 7.32 (J5’’,6’’=7.8) | C-3’’, C-7’’ |
| 6′′ | 118.6 | 6.84 | C-2’’, C-4’’ |
| 7′′ | 149.9 | ||