Table 1: 1H (300 MHz) and 13C
(75.47 MHz) NMR spectral data for 2 in DMSO-d6, including results
obtained by homonuclear 2D shift-correlated 1H COSY and
heteronuclear 2D shift-correlated HMQC (1JCH)a.
Chemical
shifts (δ,
ppm) and coupling constants (J, Hz, in parenthesis)b.
Position |
Hδ |
Cδ |
Correlation 1H-1H |
Correlation 1H-13C |
(NH) 1 |
6.29 (s) |
- |
1-H |
- |
2 |
- |
56.66 |
- |
- |
3 |
3.35, 3.45 (AB (2dd), 10.8;
5.6) |
64.85 |
H1-3,
H2-3, O-H |
H1-3,
H2-3, C-3 |
(OH) 4 |
4.92 (t, 5.6) |
- |
O-H, H1-3, H2-3 |
- |
5 |
1.18 (s) |
20.43 |
H1-5, H2-5, H3-5 |
H1,2,3-5 ; C-5 |
6 |
4.35, 4.51 (AB, 14) |
51.74 |
H1-6,
H2-6 |
H1-6,
H2-6, C-6 |
9 |
7.95 (s) |
151.61 |
H3'triazole -9 |
H3'triazole -9, C-9 |
11 |
8.23 (s) |
145.24 |
H5'-triazole -11 |
H5'-triazole
-11, C-11 |
12 |
- |
154.97 |
- |
- |
14 |
- |
78.43 |
- |
- |
15; 17; 18 |
1.39 (s) |
28.68 |
H1,2,3-15 H1,2,3-17 H1,2,3-18 |
H1,2,3-15 ; C-15 H1,2,3-17; C-17 H1,2,3-18 ; C-18 |
aCorrelation
from C to the indicated hydrogens.
bChemical
shifts and coupling constants (J) obtained of 1D 1H-NMR
spectrum.