NMR data for LY395599 (IV), LY395598(V), and LY395597 (VI)
| Position3-a | Chemical Shift (δ)3-b | ||
|---|---|---|---|
| LY395597 | LY395598 | LY395599 | |
| 2 | 8.94 (d, 5.9) | 9.06 (d, 5.6) | |
| 3 | 6.68 (dd) | 7.85 (dd, 8.2, 5.8) | 8.04 (dd, 8.4, 5.6) |
| 4 | 8.29 (d) | 9.25 (d, 8.3) | 9.35 (d, 8.6) |
| 6 | 6.85 (d) | 3-c | |
| 7 | 7.60 (t) | 3-c | 3-c |
| 8 | 7.53 (d) | 7.75 (d, 8.9) | |
| 1′ | 5.22 (d) | 5.28 (d, 7.6) | 5.32 (d, 7.6) |
↵3-a Numbers refer to positions on the quinoline ring only, except for position 1′ of the glucuronide moiety.
↵3-b Chemical shift values (δ) are followed by the apparent splitting patterns (d, dd, or t) and apparent coupling constants (Hz). The spectra were recorded with a 1.64-sec acquisition time and processed with 1.0-Hz Lorentzian line broadening, followed by zero-filling in the time domain, resulting in a final digital resolution of 0.3 Hz.
↵3-c Doublet located at 7.17–7.29 ppm underneath dibenzosuberane resonances.