Table 2.

¹³C NMR analysis of sitosterol from a cell culture of C. roseus supplied with [1-¹³C] deoxyxylulose or [2,3,4,5-¹³C]deoxyxylulose

Position*	Chemical shift, ppm	Proffered deoxyxylulose
		[1-13C]	[2,3,4,5-13C4]
		% 13C	% 13C	% 13C13C	JCC, Hz†
5	140.69	1.14	1.74	29.0	71.6 (6), 38.3 (10)
6	121.72	1.22	1.74	34.7	71.8 (5), 1.5 (6)
3	71.77	1.24	1.87	38.6	36.2 (2, 4)
14	56.70	1.10	1.26	16.3	32.3 (15, 13)
17	55.95	ND	1.97	ND	ND
9	50.03	1.22	1.26	ND	ND
24	45.73	ND	1.41	37.3	34.8 (23, 25)
13	42.26	1.19‡	1.69‡	ND	ND
4	42.23	1.19‡	1.69‡	ND	ND
12	39.70	1.16	1.28	14.1	35.6 (13)
1	37.18	1.39	1.69	ND	34.1 (10), 1.8 (6)
10	36.45	1.11	2.08	ND	ND
20	36.11	ND	0.88	ND	ND
22	33.85	ND	0.60	29.8	34.1 (20)
7	31.87	1.42	1.38‡	ND	ND
8	31.83	1.32	1.38‡	ND	ND
2	31.60	1.28	1.27	ND	ND
25	29.01	ND	0.73	ND	ND
16	28.23	ND	1.41	ND	33.6 (17)
23	25.90	ND	0.67	34.9	34.9 (24), 1.3 (26)
15	24.27	1.22	1.35	16.8	33.3 (14)
28	22.98	ND	0.45	ND	ND
11	21.03	1.29	1.60	16.0	34.7 (9)
26	19.82	ND	0.67	38.5	35.4 (25), 1.4 (23)
19	19.38	ND	1.10	4.9	35.2 (10)
27	18.97	1.38	ND	ND	ND
21	18.74	1.49	ND	ND	ND
29	11.95	ND	ND	ND	ND
18	11.83	1.49	1.10	ND	ND

ND, not determined due to signal overlapping. 

^*Assignments are based on refs. 32 and 33 and were confirmed by INADEQUATE experiments. 

^†13C¹³C coupling constants obtained from one-dimensional proton-decoupled ¹³C NMR spectra. Carbon atoms coupled to the respective index carbon are in parentheses and were determined by INADEQUATE spectroscopy. 

^‡Averaged intensities due to signal overlapping.