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. Author manuscript; available in PMC: 2012 Nov 15.
Published in final edited form as: Bioorg Med Chem. 2011 Jun 26;19(22):6557–6562. doi: 10.1016/j.bmc.2011.06.053

Table 1.

NMR spectroscopic data for fijimycin A (1) in CDCl3

Amino
Acid
Position Major Rotamer
Minor Rotamer
δH (J in Hz) δC δH (J in Hz) δC
d-PhSar 1 169.2 169.5
2 6.65, m 61.2 6.05, m 62.5
3 134.2 133.3
4 (8) 7.35, m 128.9 7.35, m 128.9
5 (7) 7.33, m 128.5 7.33, m 128.5
6 7.21, m 128.2 7.21, m 128.2
9 2.99, s 32.6 2.94, s 33.4
l-Ala 10 171.9 172.3
11 5.14, t (6.0) 46.2 5.11, t (6.0) 46.2
12 1.37, d (6.6) 18.3 1.29, d (6.0) 18.5
11-NH 8.22, d (10.8) 7.74, d (6.0)
l-DiMeLeu 13 168.6 167.5
14 3.68, d (7.2) 63.2 4.17, d (4.8) 62.2
15 2.11, t (7.8) 36.6 2.23, m 35.3
16 0.62, d (6.6) 8.6 0.65, d (6.6) 8.4
17 1.05, m 27.2 1.05, m 27.2
18 0.51, brs 14.7 0.51, brs 15.9
19 0.72, brs 21.7 0.44, brs 21.7
20 2.96, s 29.2 2.88, s 28.5
Sar 21 167.7 168.4
22 3.49, d (14.4) 51.2 3.61, d (17.4) 51.3
5.21, d (14.4) 6.47, d (15.6)
23 3.23, s 31.2 3.09, s 36.9
d-Hyp 24 173.6 172.9
25 5.31, brs 55.7 4.87, m 56.5
26 1.98, d (13.8) 35.5 2.19, m 35.3
2.43, t (10.8)
27 4.47, brs 71.9 4.55, m 70.6
28 3.74, d (10.8) 56.2 3.68, d (10.8) 58.5
3.87, d (10.8) 4.11, dd (6.0)
27-OH 6.35, brd (9.6) 6.66, brd (11.4)
d-Leu 29 170.4 173.2
30 4.77, m 48.7 4.93, dd (7.2) 49.4
31 1.35, m 40.8 1.42, m 43.1
32 1.60, m 24.5 1.53, m 24.6
33 1.06, d (6.6) 21.2 0.97, d (6.0) 21.9
34 0.86, d (6.6) 23.3 0.88, d (7.2) 23.3
30-NH 6.76, d (9.6) 7.20, m
d-Thr 35 167.5 167.1
36 4.87, m 55.4 4.87, m 55.4
37 5.85, brs 71.7 5.85, brs 70.8
38 1.35, m 17.2 1.21, d (2.4) 16.2
36-NH 8.51, brs 8.58, brs
3HyPic 39 167.0 166.5
40 130.1 130.1
41 157.9 157.9
42 7.40, m 126.7 7.40, m 126.7
43 7.46, m 129.5 7.46, m 129.5
44 8.31, brs 141.3 8.17, d (3.6) 140.3
41-OH 11.62, s 11.57, s