TABLE 2

1H and 13C NMR chemical shift assignment of BMS-587101 metabolite M6 produced by RLM Graphic

Position 1H ppm (d4-Methanol: d 3.30 ppm) 13C ppm (d4-Methanol: d 49 ppm) Key HMBC (1H-13C) Correlations
2 8.13 (s, 1H)
3 134
4 7.45 (s, 1H) 129 142 (C-5)
5 142
8 a, 4.53 (d, J = 15.4 Hz, 1H); b, 4.68 (d, J = 15.4 Hz, 1H) 49 60 (C-10), 142 (C-5), 148 (C-16)
9 (N)
10 a, 3.76 (d, J = 12.4 Hz, 1H); b, 3.81 (d, J = 12.4 Hz, 1H) 60 76 (C-11), 106 (C-17), 148 (C-16), 174 (C-15)
11 76
13 154
15 174
16 7.62 (s, 1H) 148 60 (C-10), 76 (C-11), 106 (C-28)
17 106
19 2.81 (s, 3H) 154 (C-13)
22 and 26 7.53 (d, J = 1.8 Hz, 2H)
23 and 25
24 7.50 (t, J = 1.8, 1H)
29 and 33 7.55 (d, J = 8.6 Hz, 2H) 123 120 (C-30 and C-32)
30 and 32 7.17 (d, J = 8.8 Hz, 2H) 120 106 (C-17), 123 (C-29 and C-33)