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. 2020 Oct 16;9:e61886. doi: 10.7554/eLife.61886

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.


Inline graphic
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’’