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. 2014 Oct 31;290(2):1005–1019. doi: 10.1074/jbc.M114.616300

TABLE 3.

13C and 1H NMR spectral data of EG and ergosterol

NMR chemical shifts of standard ergosterol were assigned by MQ-COSY, TOCSY, HSQC, and HMBC experimental data, which measured at the same condition of EG.

13C NMR data
1H NMR data
Carbon EG Ergosterol Multiplicity Proton EG Ergosterol
1 39.0 39.0 CH2 1.32 1.30
1.93 1.90
2 30.5 32.0 CH2 2.00 1.86
1.67 1.50
3 78.2 70.4 CH 3 3.72 (m) 3.54 (m)
4 37.8 40.9 CH2 2.60 (brd, 14.7) 2.44
2.33 (brt, 13.0) 2.27
5 140.1 140.6 C=
6 120.5 120.1 CH= 6 5.57 (brs) 5.55
7 116.9 116.9 CH= 7 5.38 (brs) 5.38
8 141.8 141.6 C=
9 46.9 46.9 CH 9 1.99 1.97
10 37.8 37.6 C
11 21.6 21.7 CH2 11α 1.74 1.74
11β 1.62 1.62
12 39.7 39.7 CH2 12α 1.30 1.28
12β 2.09 2.09
13 43.4 43.4 C
14 55.1 55.1 CH 14 1.92 1.90
15 23.5 23.5 CH2 15α 1.69 1.67
15β 1.32 1.38
16 28.8 28.8 CH2 16α 1.79 1.78
16β 1.36 1.34
17 56.4 56.4 CH 17 1.30 1.28
18 12.4 12.4 CH3 18 0.65 (3H, s) 0.65
19 16.5 16.5 CH3 19 0.96 (3H, s) 0.95
20 41.1 41.0 CH 20 2.06 2.06
21 21.4 21.4 CH3 21 1.05 (3H, d, 6.7) 1.05
22 136.3 136.2 CH= 22 5.20 (dd, 7.8, 15.3) 5.19
23 132.6 132.6 CH= 23 5.24 (dd, 7.3, 15.3) 5.24
24 43.6 43.5 CH 24 1.87 1.86
25 33.7 33.7 CH 25 1.48 1.48
26 19.9 19.9 CH3 26 0.84 (3H, d, 6.9) 0.84
27 20.2 20.2 CH3 27 0.85 (3H, d, 6.9) 0.85
28 17.9 18.0 CH3 28 0.93 (3H, d, 6.7) 0.93
β-Glc
C-1′ 101.9 CH H-1′ 4.43 (d, 7.8)
C-2′ 74.3 CH H-2′ 3.22 (t, 8.4
C-3′ 77.3 CH H-3′ 3.41 (t, 8.8)
C-4′ 80.0 CH H-4′ 3.38 (t, 9.0)
C-5′ 76.9 CH H-5′ 3.30 (m)
C-6′ 62.3 CH2 H-6a′ 3.73 (dd, 5.2, 11.9)
H-6b′ 3.87 (dd, 2.7, 11.9)