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. Author manuscript; available in PMC: 2012 Nov 15.
Published in final edited form as: Bioorg Med Chem. 2011 Jun 6;19(22):6576–6580. doi: 10.1016/j.bmc.2011.05.051

Table 1. NMR data for found compound (1 in CD3CN (600 MHz).

δH(J in Hz) δC, mult. COSYa HMBCb
Amoa 1 174.8, C
2 2.70, qd (7.5, 4.1) 44.9, CH 3, 9 1, 3, 4, 9
3 3.97, m 52.8, CH 2, 4b, 9, NH 1, 2, 4
4a 1.60, m 29.7, CH2 4b, 5a, 5b 3, 5, 6
4b 1.11, m 4a, 5a 3, 5, 6
5a 1.28, m 32.9, CH2 4a, 4b, 5b 4, 7
5b 1.13, m 4a, 5a 4, 7
6a 1.28, m 27.1, CH2 6b
6b 1.12, m 6a
7 1.27, m 23.8, CH2 8 5, 6
8 0.86, d (6.2) 14.8, CH3 7
9 1.13, d (6.9) 15.7, CH3 2 1, 2
NH 8.93, d (8.9) 3 10
Ala 10 172.7, C
11 4.35, dq (8.3, 6.9) 52.4, CH 12, NH 10, 12, 13
12 1.25, d (6.8) 20.8, CH3 11 11, 10
NH2 6.57, d (8.3) 11 11, 12, 13
N-Me-Phe 13 170.5, C
14 5.52, dd (10.3, 5.5) 58.4, CH 15a, 15b 13, 15, 16, 22, 23
15a 3.26, dd (-15.0, 5.5) 34.3, CH2 14, 15b 13, 14, 16, 17, 21
15b 2.90, dd (-15.0, 10.3) 14, 15a 13, 14, 16, 17, 21
16 139.6, C
17 7.18, d (6.9) 130.2, CH 19, 21 15, 18, 19
18 7.24, m 129.5, CH 17, 19, 21 16, 17
19 7.18, t (6.9) 127.6, CH 18, 20 17, 18, 20, 21
20 7.24, m 129.5, CH 17, 19, 21 16, 21
21 7.18, d (6.9) 130.2, CH 18, 20 15, 19, 20
22 2.96, s 32.4, CH3 14, 23
Pro 23 175.3, C
24 4.51,dd (6.9, 3.4) 59.6, CH 25a, 25b 23, 25
25a 1.80, m 28.8, CH2 24, 25b, 26b 26, 27
25b 1.57, m 24, 25a, 26a, 26b 23, 24, 26
26a 2.06, m 27.6, CH2 25b, 26b, 27a, 27b 24, 25
26b 1.87, m 25a, 25b, 26a, 27a, 27b 25, 27
27a 3.70, dd (9.0, 9.0) 48.2, CH2 26a, 26b, 27b 24, 25, 28
27b 3.44, m 26a, 26b, 27a 26
Hmpa 28 170.0, C
29 5.23, d (2.7) 78.3, CH 30 1, 28, 30, 31, 33
30 2.15, m 35.4, CH 29, 31a, 31b, 33 31, 32, 33
31a 1.38, m 24.3, CH2 31b, 32 29, 30, 32, 33
31b 1.17, m 30, 31a, 32 30, 32, 33
32 0.87, t (6.9) 12.5, CH3 31a, 31b 30, 31
33 1.01, d (6.9) 16.4, CH3 30 29, 30, 31
a

COSY correlations are from proton stated to indicated proton.

b

HMBC correlations are from proton stated to the indicated carbon.