Table 2
Chemical shifts (ppm) and multiplicities of diagnostic 1H signals in NMR spectra of Lu 25-109 and metabolites
| Atom | Lu 25-1092-a | Lu 35-080 | Lu 35-026 | m/z398 | m/z 400 | m/z 400 Rearranged |
|---|---|---|---|---|---|---|
| H1 (3H) | 2.95 s | 4.25 s | 3.72 s | 4.30 s | 3.10 | 3.00 |
| H2 | 4.15–4.20 m (2H) | 8.40 s | 8.36 d (J = 3) | 8.75 d (J = 2) | 4.45 d and 4.55 d | 4.45 s (2H) |
| (JAB = 18) (2H) | ||||||
| H4 | 6.95–7.05 m | 8.00 s | 8.18 dd (J= 9,3) | 7.0 s | 6.90 s | |
| H5 | 2.55–2.70 m (2H) | 6.71 d (J = 9) | 8.35 d (J = 2) | |||
| H6 | 3.4 t (J = 6) | 7.80 s | ||||
| H8(2H) | 4.70 q (J = 7.5) | 4.80 q (J = 7.5) | 5.35 q (J = 8) | 4.65 q (J = 7.5) | 4.65 q (J = 7.5) | |
| H9 (3H) | 1.55 t (J = 7.5) | 1.75 t (J = 7.5) | 2.20 t (J = 8) | 1.55 t (J = 7.5) | 1.55 t (J = 7.5) | |
| β-Gln: | ||||||
| Anomeric | 5.75 d (J = 7) | 5.03 d (J = 4) | not found | |||
| Other Gln. | 4.15–4.35 multi 3H | 3.30–3.40 1H m | overlapped with structure 1 | |||
| 4.55 d (J = 8) 1H | 3.45–3.50 2H m | |||||
| 3.65–3.70 1H m |
