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. 2019 Nov 29;17(12):675. doi: 10.3390/md17120675

Table 1.

NMR shift values for compound 1 (Vertebratol) in MeOD; the spectra were recorded on a 600 MHz NMR instrument.

Bromophenol m/z = 455.9618 [M + H]+
13C 1H HMBC a
1 174.38, C
2 55.87, CH 3.57, t (6.0) 1, 3, 4
3 29.40, CH2 1.89, m 1, 2, 4, 5
4 27.07, CH2 1.60, m 3, 5
5 40.19, CH2 3.23, m; 3.11, m 3, 4, 6
6 160.94, C
1′ 132.37, C
2′ 114.42, C
3′ 114.13, C
4′ 144.87, C
5′ 146.63, C
6′ 114.78, CH 6.84, s 2′, 4′, 7′
7′ 46.010, CH2 4.28, d (16.0); 4.23, d (16.0) 1′, 2′, 6

a HMBC correlations are stated from proton(s) to the indicated carbon.