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. 2017 Jun 28;8:1147. doi: 10.3389/fmicb.2017.01147

Table 1.

1H (600 MHz) and 13C (150 MHz) NMR Date of Act-X (1) in CDCl3a.

Ring-A Ring-B
Position δC, type δH (J in Hz) Position δC, type δH (J in Hz)
Thr 1 168.8, C 1 169.0, C
2 55.5, CH 4.81 (dd, 7.0, 2.5) 2 54.9, CH 4.49 (dd, 6.5, 2.8)
3 74.7, CH 5.24 (m) 3 75.4, CH 5.24 (m)
4 17.7, CH3 1.28 (d, 6.3) 4 17.8, CH3 1.24 (d, 6.0)
NH 7.44 (d, 6.9) NH 7.50 (d, 6.4)
Val 1 173.5, C 1 173.3, C
2 58.9, CH 3.57 (dd, 10.2, 3.5) 2 58.1, CH 3.55 (dd, 8.9, 4.3)
3 32.0, CH 2.16 (m) 3 31.9, CH 2.12 (m)
4 19.2, CH3 0.75 (d, 2.7) 4 19.2, CH3 0.74 (d, 2.7)
5 19.2, CH3 0.96 (d, 7.4) 5 19.0, CH3 0.94 (d, 1.6)
NH 8.17 (d, 6.2) NH 7.91 (d, 5.5)
Pro 1 173.2, C 1 173.0, C
2 57.0, CH 5.97 (d, 9.2) 2 56.5, CH 6.05 (d, 9.6)
3 31.2, CH2 1.84 (m), 2.78 (m) 3 31.4, CH2 4.13 (m), 3.95 (m)
4 23.0, CH2 2.06 (m), 2.26 (m) 4 70.0, CH 4.70 (m)
5 47.6, CH2 3.85 (m), 3.73 (m) 5 54.7, CH2 3.56 (m), 3.08 (m)
Sar 1 166.5, C 1 166.5, C
2 51.3, CH2 4.72 (d, 17.4), 3.63 (d, 17.4) 2 51.5, CH2 4.55 (d, 17.4), 3.59 (d, 17.4)
MeVal NMe 35.0, CH3 2.87 (s) NMe 35.1, CH3 2.87 (s)
1 167.6, C 1 167.7, C
2 71.3, CH 2.71 (d, 9.3) 2 71.4, CH 2.67 (d, 9.4)
3 27.0, CH 2.78 (m) 3 27.0, CH 2.64 (m)
4 21.7, CH3 0.96 (m) 4 21.7, CH3 0.94 (m)
5 19.4, CH3 0.75 (d, 2.7) 5 19.2, CH3 0.74 (d, 3.1)
NMe 39.5, CH3 2.95 (s) NMe 39.3, CH3 2.94 (s)
chromophore 1 102.7, C
2 147.1, C
3 179.1, C
4 113.6, C
4a 145.0, C
5a 140.7, C
6 128.5, C
7 130.4, CH 7.35 (d, 7.8)
8 126.2, CH 7.64 (d, 7.8)
9 131.3, C
9a 129.6, C
10a 146.1, C
11 166.2, C
12 7.9, CH3 2.22 (s)
13 15.3, CH3 2.54 (s)
14 173.0, C
a

Thr, Threonine; Val, Valine; Pro, Proline; Sar, Sarcosine.