1H NMR data for MPA and its metabolites (M-2, M-3, and M-4)
Proton | δ | ||||||
|---|---|---|---|---|---|---|---|
| MPA | M-2 | M-3 | M-4 | ||||
| ppm | |||||||
| 18-CH3 | 0.67, s | 0.71, s | 0.68, s | 0.68, s | |||
| 6-CH3 | 1.07, d | 1.43, s | 1.08, d | 1.06, d | |||
| 19-CH3 | 1.18, s | 1.40, s | 1.26, s | 1.17, s | |||
| 21-CH3 | 2.03, s | 2.05, s | 2.03, s | 2.04, s | |||
| 23-CH3 | 2.09, s | 2.10, s | 2.10, s | 2.10, s | |||
| 6β | 2.42, m | N.A. | 2.58, m | 2.48, m | |||
| 1 α | —a | —a | 4.11, m | 2.68, m | |||
| 2α | 2.35, m | 2.40, m | 2.56, m | 4.23, m | |||
| 2β | 2.43, m | 2.53, m | 2.61, m | N.A. | |||
| 16β | 2.93, m | 2.95, m | 2.93, m | 2.94, m | |||
| 4-H | 5.79, s | 6.04, s | 5.84, s | 5.81, s | |||
N.A., no proton attached.
↵ a Shift was not assigned.