Proton | Chemical Shift (ppm) | ||||||
---|---|---|---|---|---|---|---|
THA (STD) | 1-OH-THA | 2-OH-THA (STD) | 4-OH-THA (STD) | 3-OH-THA (STD) | 1,3-diOH-THA (MET) | ||
(STD) | (MET) | ||||||
1 | 2.63 | 2.61 | 2.64 | 2.66 | |||
1′ | 2.63 | 2.89 | 2.64 | 2.79 | |||
2 | 1.98 | 1.94 | 1.93 | 1.93 | 2.07 | 2.14 | |
2′ | 1.98 | 2.01 | 2.04 | 2.19 | 2.07 | 2.45 | |
3 | 1.98 | 2.01 | 2.04 | 2.06 | 1.93 | ||
3′ | 1.98 | 2.01 | 2.04 | 2.06 | 2.19 | ||
4 | 3.02 | 2.96 | 2.96 | 3.02 | 2.96 | 3.02 | |
4′ | 3.02 | 2.96 | 2.96 | 3.20 | 3.25 | 3.20 | |
5 | 7.86 | 7.88 | 7.74 | 7.77 | 7.96 | 7.87 | 7.86 |
6 | 7.76 | 7.90 | 7.89 | 7.87 | 7.88 | 7.75 | 7.75 |
7 | 7.60 | 7.66 | 7.62 | 7.61 | 7.62 | 7.62 | 7.60 |
8 | 8.32 | 8.37 | 8.34 | 8.33 | 8.35 | 8.34 | 8.31 |
1-OH4-a | 4.95 | 4.94 | 5.02 | ||||
2-OH4-a | 4.34 | ||||||
3-OH4-a | 4.32 | 4.25 | |||||
4-OH4-a | 4.89 |
Spectra run in deuteromethanol. Standards (STD) are HCl salt. MET, metabolite; diOH, dihydroxy.
↵4-a Methine attached to respective carbon.