TABLE 1

¹H and ¹³C chemical shifts of SVA, simvastatin, and CoASH-dependent SVA metabolites

All chemical shifts are referenced to CD₂HOD peak set at δ_H 3.30/δ_C 47.9 ppm. The decalin ring and the dimethyl butanoic acid moieties are unchanged in all structures, and their chemical shifts in all structures were practically identical to previously published data on SVA (Prueksaritanont et al., 2001).

Label^a	SVA and CoASH^b			SVA-CoA			P1-CoA			Simvastatin
Label^a		¹H	¹³C	¹H	¹³C	¹H	¹³C	¹H	¹³C	¹H	¹³C
2		178.5		197.9		190.0		172.0		172.3
3	2.28, 2.39	43.9	2.71, 2.77	50.8	6.22	129.9	2.52, 2.71	37.7	2.35, 2.85	38.7
4	4.08	67.8	4.21	66.8	6.90	142.6	4.24	61.9	4.19	62.8
5	1.55	43.8	1.60	43.4	2.35	40.0	1.74, 1.91	35.2	1.49, 2.24	37.5
6	3.69	70.3	3.63	69.9	3.57	71.0	4.61	76.7	4.19	77.8
7	1.27, 1.54	34.4	1.17, 1.54	32.9	1.17, 1.55	34.1	1.35, 1.82	32.7	1.36, 1.85	32.6
8	1.40	24.5	1.34	24.4	1.37	24.7	1.39, 1.49	23.9	1.41, 1.49	24.6
a′	2.58	23.1	3.00	27.9	3.04	27.6
b′	3.31	42.5	3.31	38.6	3.32	38.8
c′		172.8		172.7		172.7
d′	2.45	35.3	2.41	35.2	2.43	35.3
e′	3.46	35.1	3.45	35.1	3.46	35.1
f′		174.3		174.4		174.4
g′	4.05	73.9	4.06	73.5	4.08	73.5
h′		38.8		38.7		38.7
h′-Me	0.82, 1.02	18.3, 20.8	0.83, 1.05	18.1, 21.0	0.82, 1.05	18.1, 20.9
i′	3.59, 3.96	71.8	3.56, 3.98	71.8	3.57, 3.99	71.7
R1	6.13	87.4	6.12	87.1	6.14	87.1
R2, R4	4.76, 4.92	74.1, 74.6	4.79, 4.86	74.1, 74.4	4.79, 4.92	74.1, 74.5
R3	4.52	83.3	4.50	83.4	4.50	83.4
R5	4.28	64.9	4.24	65.1	4.23, 4.30	64.9
A2	8.22	150.3	8.20	152.4	8.20	152.4
A6	8.62	140.6	8.57	139.6	8.59	139.7

↵ a Labels are shown in Fig. 1.
↵ b Chemical shifts of a′ to i′, R1 to R5, and A2 and A6 in this column correspond to the CoASH standard in 90% CD₃OD/10% D₂O.