Appendix 1—table 5. NMR spectroscopic data for iglu#5 (SI-2).
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 = 9.2) | C-2, C-3, C-5, C-2’, C-9’ |
| 2 | 73.0 | 4.00 (J2,3 = 9.0) | C-1, C-3 |
| 3 | 78.7 | 3.65 (J3,4 = 9.0) | C-4 |
| 4 | 71.4 | 3.63 (J4,5 = 8.9) | C-3 |
| 5 | 77.4 | 3.95 (J5,6a = 5.8) | C-4 |
| 6a | 65.3 | 4.51 (J6a,6b = 12.1) | C-4, C-5, C-1′′ |
| 6b | 4.75 (J5,6b = 2.3) | C-4, C-5, C-1′′ | |
| 2′ | 126.4 | 7.37 (J2’,3’=3.5) | C-3', C-4’, C-9’ |
| 3′ | 103.1 | 6.47 | C-2', C-4’, C-9’ |
| 4′ | 130.5 | ||
| 5′ | 121.4 | 7.51 (J5’,6’=7.9) | C-4’, C-6’, C-9’ |
| 6′ | 120.8 | 7.01 (J6’,7’=7.5,
J3’,6’=1.2) |
C-4’, C-8’ |
| 7′ | 122.5 | 7.05 | C-4’, C-5’, C-8’, C-9’ |
| 8′ | 111.4 | 7.49 | C-4’, C-6’ |
| 9′ | 137.6 | ||
| 1′′ | 165.8 | ||
| 2′′ | 127.7 | ||
| 3′′ | 150.8 | 9.12 (J3’’,6’’=0.5,
J3’’,7’’=2.0) |
C-2’’, C-5’’, C-7’’ |
| 5′′ | 153.7 | 8.74 (J5’’,6’’=4.9,
J5’’’,7’’=1.7) |
C-3’’, C-6’’, C-7’’ |
| 6′′ | 125.1 | 7.54 (J6’’’,7’’=8.0) | C-2’’, C-5’’ |
| 7′′ | 138.9 | 8.37 | C-1’’, C-2’’, C-5’’ |