TABLE 1

Carbon and proton chemical shift assignments for compound 1 and N-glucuronides 1 (M1) and 2 (M2) in dimethylsulfoxide-d6

		Parent		N-Glucuronide 1		N-Glucuronide 2
Position	Group	δ (¹³C)^{^a}	δ (¹H)^{^b}	δ (¹³C)^{^a}	δ (¹H)^{^b}	δ (¹³C)^{^a}	δ (¹H)^{^b}
		ppm
1	NH	N.A.	12.16	N.A.	N.A.	N.A.	N.A.
3	C	148.9	N.A.	140.0	N.A.	149.0	N.A.
4	CH	94.1	6.83	93.5	6.71	96.1	6.94
5	CH	128.4	7.64	138.8	7.48	130.6	7.81
6	NH	N.A.	11.10	N.A.	11.24	N.A.	11.13
7	C	N.A.	N.A.	N.A.	N.A.	N.A.	N.A.
9	C	139.2	N.A.	139.0	N.A.	139.1	N.A.
12	CH	141.2	8.57	141.9	8.64	141.6	8.59
13	CH	116.8	7.31	117.4	7.36	117.3	7.33
14	CH	121.5	8.02	122.4	8.10	122.1	8.05
15	C	105.1	N.A.	105.8	N.A.	105.4	N.A.
16	C	152.8	N.A.	152.4	N.A.	153.1	N.A.
18	C	165.2	N.A.	165.7	N.A.	165.3	N.A.
20	C	164.1	N.A.	164.1	N.A.	164.0	N.A.
21	CH	93.5	7.66	93.8	7.69	93.8	7.67
22	CH₃	25.5	2.45	25.9	2.50	26.1	2.46
23	NH₂	N.A.	6.96	N.A.	7.06	N.A.	6.97
1ˈ	CH	N.A.	N.A.	84.1	5.17	88.5	5.22
2ˈ	CH	N.A.	N.A.	70.9	3.96	70.8	3.79
3ˈ	CH	N.A.	N.A.	77.5	3.36	76.4	3.40
4ˈ	CH	N.A.	N.A.	71.6	3.25	71.0	3.47
5ˈ	CH	N.A.	N.A.	75.9	3.48	72.3	3.79
6ˈ	C=O	N.A.	N.A.	171.3	N.A.	167.6	N.A.

N.A., not available.
↵^a Carbon chemical shifts are measured relative to the dimethylsulfoxide-d6 signal at 39.51 ppm.
↵^b Proton chemical shifts are measured relative to the dimethylsulfoxide-d6 signal at 2.50 ppm.