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. Author manuscript; available in PMC: 2013 Apr 27.
Published in final edited form as: J Nat Prod. 2012 Mar 22;75(4):644–649. doi: 10.1021/np200886x

Table 1.

NMR Spectroscopic Data (500 MHz for 1H, 125 Hz for 13C, DMSO-d6) for Totopotensamides A and B (1 and 2).

unit No 1 2

δC δH (J in Hz) δC δH (J in Hz)
L-Gly 1 168.7, C - 169.3, C -
2 43.7, CH2 4.07, m; 3.44, m 43.8, CH2 4.07, m; 3.42, m
NH 8.07, m 8.05, m
L-Ile 1 172.0, C - 171.6, C -
JH2~H3 = 10.0 Hz in CD3OD 2 61.5, CH 3.77, m 61.9, CH 3.76, m
3 35.6, CH 1.77, m 35.7, CH 1.75, m
4 27.1, CH2 1.19, m; 1.05, m 27.1, CH2 1.23, m; 1.04, m
5 11.5, CH3 0.78, t (6.3) 11.6, CH3 0.79, t (6.3)
6 17.3, CH3 0.73, d (7.0) 17.2, CH3 0.74, d (7.0)
NH 7.09, d (6.0) 7.09, d (6.0)
L-ClPhg 1 172.3, C - 172.1, C -
2 57.7, CH 5.71, d (10.0) 57.7, CH 5.71 d (10.0)
3 131.3, C - 131.2, C -
4 111.8, C - 112.0, C -
5 153.2, C - 153.3, C -
6 114.5, C - 114.6, C -
7 155.8, C - 155.8, C -
8 107.9, CH 6.61, s 107.1, CH 6.61, s
9 11.3, CH3 2.04, s 11.0, CH3 2.03, s
NH 8.93, d (10.0) 8.90, d (10.1)
2R,3S-Dab 1 169.9, C - 169.8, C -
JH2~H3 = 3.5 Hz in CD3OD 2 56.4, CH 4.46, m 56.5, CH 4.45, m
3 46.7, CH 4.16, m 47.1, CH 4.09, m
4 16.5, CH3 1.06, d (6.7) 16.6, CH3 1.06, d (6.5)
2-NH 8.02, d (8.2) 8.01, d (8.1)
3-NH 6.24, d (9.7) 6.22, d (9.8)
L-Ala 1 172.9, C - 173.0, C -
2 49.6, CH 4.35, m 49.7, CH 4.34, m
3 19.6, CH3 1.19, d (7.0) 19.8, CH3 1.18, d (7.0)
NH 8.05, d (8.0) 8.03, d (8.0)
D-allo-Thr 1 170.9, C - 171.0, C -
JH2~H3 = 12.0 Hz in CD3OD 2 59.8, CH 4.23, m 60.1, CH 4.21, m
3 68.4, CH 3.80, m 68.6, CH 3.80, m
4 21.1, CH3 1.07, d (6.7) 21.1, CH3 1.07, d (6.6)
NH 8.24, d (8.1) 8.24, d (8.1)
Polyketide 1 167.5, C - 167.6, C -
2 50.5, CH2 3.52, d (15.2); 3.42, d (15.2) 50.6, CH2 3.53, d (15.1); 3.41, d (15.1)
3 210.4, C - 210.4, C -
4 44.8, CH 2.74, m 44.8, CH 2.72, m
5 40.4, CH2 1.73, m; 0.77, m 40.4, CH2 1.72, m; 0.77, m
6 29.2, CH 1.38, m 29.1, CH 1.38, m
7 42.6, CH2 1.12, m; 0.78, m 42.6, CH2 1.10, m; 0.76, m
8 34.9, CH 1.50, m 34.9, CH 1.51, m
9 73.9, CH 3.53, m 75.5, CH 3.44, m
10 37.6, CH 1.75, m 37.7, CH 1.78, m
11 88.4, CH 3.41, m 79.8, CH 3.19, m
12 67.6, CH 3.61, m 68.3, CH 3.54, m
13 20.3, CH3 1.04, d (6.0) 20.2, CH3 1.06, d (6.1)
14 19.1, CH3 0.99, d (6.8) 19.1, CH3 0.99, d (6.8)
15 22.6, CH3 0.81, d (6.4) 22.6, CH3 0.80, d (6.5)
16 17.9, CH3 0.84, d (6.4) 17.9, CH3 0.82, d (6.4)
17 17.3, CH3 0.73, d (6.9) 17.3, CH3 0.75, d (6.9)
Methyl-glucose 1′ 104.8, CH 4.21, d (8.2)
2′ 75.3, CH 2.99, dd (9.0, 8.2)
3′ 77.9, CH 3.29, dd (9.0, 8.6)
4′ 80.8, CH 2.91, dd (9.0, 8.6)
5′ 76.9, CH 3.14, m
6′ 62.1, CH2 3.60, m, 3.46, m
7′-OMe 61.3, CH3 3.41, s