TABLE 1.
Proton chemical shift assignments of S-8-Cl-Ado, 8-Cl-Ado, and S-AMP
Proton assignments were determined or confirmed by 2D-COSY. All experiments were performed at 15 °C in D2O. Chemical shifts were referenced to 3-(Trimethylsilyl)propionic acid.
| Position | δH multiplicity (J in Hz) |
||
|---|---|---|---|
| S-8-Cl-Ado | 8-Cl-Ado | S-AMP | |
| 2 | 8.09 sa | 8.09 s | 8.11 s |
| 8 | N/Ab | N/A | 8.38 s |
| 11 | 4.62 mc | N/A | 4.62 m |
| 12a | 2.73 ddd (15.7, 3.6) | N/A | 2.73 dd (15.7, 3.6) |
| 12b | 2.56 dd (15.7, 9.9) | N/A | 2.56 dd (15.7, 9.9) |
| 1′ | 6.00 de (6.0) | 6.08 d (7.2) | 5.98 d(6.0) |
| 2′ | 4.89 m | 4.95 m | 4.61 m |
| 3′ | 4.34 dd (5.3, 1.2) | 4.46 dd (5.3, 1.8) | 4.33 dd (5.2, 1.5) |
| 4′ | 4.19 m | 4.32 m | 4.20 m |
| 5a′ | 3.80 dd (13, 2.5) | 3.95 dd (13, 2.5) | 3.85 m |
| 5b′ | 3.71 dd (13, 2.5) | 3.85 dd (13, 2.5) | 3.85 m |
a s, singlet.
b N/A, not applicable.
c m, multiplet.
d dd, double doublet.
e d, doublet.