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. 2003 Apr;69(4):2139–2152. doi: 10.1128/AEM.69.4.2139-2152.2003

TABLE 3.

NMR data for X5-Me and X6-Mea

No. X5-Me
X6-Me
13C-NMR (δ [ppm]) 1H-NMR (δ [ppm]), J (Hz)b HMBC 13C-NMR (δ [ppm]) 1H-NMR (δ [ppm]), J (Hz)b
1 130.3 7.47 dq (11.5, 0.9) C3, C5, C19 138.3 7.55 d (7.8)
2 119.0 6.95 d (11.5) C3, C4, C10 123.0 7.89 d (7.8)
3 149.4 145.0
4 163.6 166.1
5 202.2 160.7
6 35.4 3.01 ddd (17.5, 6.9, 6.9) C5, C7, C8 33.2 3.10 ddd (14.2, 8.8, 6.4)
2.82 ddd (17.5, 7.3, 7.3) C5, C7, C8 2.84 ddd (14.2, 9.3, 7.3)
7 21.3 1.85 m C5 24.8 1.93 m
8 49.2 2.55 m 49.4 2.69 ddd (11.7, 7.3, 3.9)
9 211.5 211.2
10 139.8 136.0
11 37.5 2.50 m C9, C12, C13 37.5 2.50 ddd (15.6, 13.2, 6.4)
2.44 m C9, C12, C13 2.42 ddd (15.6, 6.4, 2.4)
12 30.4 2.01 ddd (13.3, 6.0, 2.3) 30.6 2.00 ddd (13.2, 6.4, 2.4)
1.68 ddd (13.3, 12.8, 6.4) C18 1.68 ddd (13.2, 13.2, 6.4)
13 47.6 47.6
14 49.6 1.84 m 49.6 1.89 m
15 22.2 2.10 m C17 22.3 2.10 m
1.85 m 1.85 m
16 36.1 2.59 dd (19.3, 7.8) C17 36.2 2.58 dd (19.1, 8.3)
2.24 ddd (19.3, 9.2, 9.2) C17 2.23 ddd (19.1, 9.3, 8.8)
17 218.7 218.2
18 13.5 1.18 s C12, C13, C14, C17 13.5 1.17 s
19 12.2 1.95 d (0.9) C1, C5, C10 19.0 2.47 s
3-OMe 60.8 3.86 s C3
COOMe 52.4 3.85 s C4 52.6 3.97 s
a

The molecular formula and weight of X5-Me and X6-Me are C12H28O6 and 376 and C20H25NO4 and 343, respectively. In HMBC data, carbons showing cross peaks with the proton are in the same row.

b

Abbreviations for NMR: s, singlet; d, doublet; q, quartet, m, multiplet.