Appendix 1—table 7. NMR spectroscopic data for iglu#9 (SI-4).
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.
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Position | δ 13C [ppm] | δ 1H ([ppm] JHH[Hz]) | HMBC |
1 | 86.9 | 5.47 (J1,2 = 9.1) | C-2, C-3, C-5, C-2’, C-9’ |
2 | 73.2 | 3.96 (J2,3 = 9.0) | C-1, C-3 |
3 | 78.7 | 3.62 (J3,4 = 9.8) | C-4 |
4 | 71.3 | 3.61 (J4,5 = 9.7) | C-3 |
5 | 77.9 | 3.86 (J5,6a = 5.7) | |
6a | 63.9 | 4.38 (J6a,6b = 11.9) | C-5, C-1′′ |
6b | 4.68 (J5,6b = 2.1) | C-4, C-1′′ | |
2′ | 126.6 | 7.36 (J2’,3’=3.4) | C-3', C-4’, C-9’ |
3′ | 103.1 | 6.47 | C-2', C-4’, C-9’ |
4′ | 130.6 | ||
5′ | 121.4 | 7.52 (J5’,6’=7.8) | C-7’, C-9’ |
6′ | 120.8 | 7.02 (J6’,7’=7.3, J3’,6’=1.2) | C-4’, C-8’ |
7′ | 122.4 | 7.05 | C-5’, C-9’ |
8′ | 111.6 | 7.50 | C-4’, C-6’ |
9′ | 137.4 | ||
1′′ | 162.4 | ||
2′′ | 123.0 | ||
4′′ | 124.7 | 6.96 (J4’’,5’’=2.5, J4’’,6’’=1.4) | C-2’’, C-5’’, C-6’’ |
5′′ | 110.6 | 6.20 (J5’’,6’’=3.8) | C-2’’(weak), C-4’’(weak) |
6′′ | 116.8 | 6.90 | C-2’’, C-4’’, C-5’’ |