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. 2015 May 29;20(6):10004–10031. doi: 10.3390/molecules200610004

Table 3.

NMR Data for compounds 8, (S,S)-9 and (S,R)-9 with the correlations observed in the HSQC and HMBC spectra.

8 (S,S)-9 (S,R)-9
Pos. a 1H (ppm) 13C/15N (ppm) Pos. a 1H (ppm) 13C/15N (ppm) Pos. a 1H (ppm) 13C (ppm)
1 10.18 −236.4 1 10.17 −236.3 1 10.15
2 152.2 2 152.3 2 152.2
C2-NH2 6.03 −311.2 C2-NH2 6.01 −311.1 C2-NH2 6.01
3 −208.0 3 −208.0 3
4 151.3p 4 151.4 4 151.3
5 98.8 5 98.8 5 98.7
6 159.3 6 159.5 6 159.3
7 117.6 7 117.5 7 117.7
8 6.31 113.5 8 6.31 113.6 8 6.32 113.4
9 10.61 −241.4 9 10.60 −241.4 9 10.60
10 2.86 28.0 10 2.85 28.1 10 2.86 28.0
11 2.96 36.1 11 2.97 36.2 11 2.98 36.1
12 146.1 12 146.2 12 146.1
13 7.29 128.2 13 7.28 128.2 13 7.28 128.1
14 7.80 127.4 14 7.78 127.5 14 7.79 127.5
15 131.4 15 131.5 15 131.5
16 166.4 16 166.6 16 166.4
17 8.57 −265.6 17 8.34 −265.5 17 8.30
18 4.35 52.3 18 4.46 52.8 18 4.50 (1H, m) 52.8
19 1.94 + 2.10 26.5 19 1.92 + 2.03 27.1 19 1.94 + 2.01 27.2
20 2.28 31.8 20 2.34 30.5 20 2.32 30.5
21 171.8 C21-OH c 174.3 C21-OH c 174.1
C22-OH 12.40 b 173.5 22 171.7 22 171.6
23 8.15 −260.0 23 8.21 −263.2 23 8.20
24 4.21 51.2 24 4.22 51.3 24 4.23 51.1
25 1.75 + 1.93 26.4 25 1.81 + 1.99 26.3 25 1.79 + 1.99 26.4
26 2.27 30.1 26 2.30 30.1 26 2.25 29.9
C27-OH 12.40 b 173.8 C27-OH c 173.9 C27-OH c 173.7
C28-OH 12.40 b 173.4 C28-OH c 173.3 C28-OH c 173.1

a Positions of atoms are showed on Figure 3; b probably one common signal for the exchanging protons of carboxylic groups; c signals not observed.