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. 2019 May 7;4(5):8222–8230. doi: 10.1021/acsomega.9b00722

Table 2. 1H-NMR (500 MHz) and 13C-NMR (125 MHz), in MeOD-d4, of Deoxyrhapontigenin-3-O-β-d-glucuronide (5).

2.3.2.

  1H-NMR (δ ppm, J Hz)
13C-NMR (δ ppm)
atom # (500 MHz) lit.a (125 MHz) lit.a
1     141.2 141.1
2 6.78, br. t 6.78, br.t 107.5 107.2
3     160.5 159.2
4 6.50, t, J = 2.1 6.45, t, J = 1.9 104.4 104.1
5     159.9 159.8
6 6.64, br. t 6.65, br.t 108.4 108.7
7 6.92, d, J = 16.3 6.89, d, J = 16.5 127.4 127.4
8 7.02, d, J = 16.3 7.04, d, J = 16.5 129.6 129.6
1′     131.4 b
2′ 7.45, d, J = 8.8 7.45, d, J = 8.5 128.8 130.8
3′ 6.91, d, J = 8.9 6.89, d, J = 8.5 115.1 128.4
4′     160.9 114.9
5′ 6.91, d, J = 8.9 6.89, d, J = 8.5 115.1 160.5
6′ 7.45, d, J = 8.8 7.45, d, J = 8.5 128.8 114.9
OCH3 3.80, s 3.80, s 55.7 128.4
1″ 4.92c 4.96, d, J = 7.2 102.6 55.6
2″ 3.53–3.47, m 3.50, m 74.7d 102.5
3″ 3.53–3.47, m 3.51, t, d, J = 9.1 77.7d 76.9
4″ 3.57, m 3.79, m 73.4 74.4
5″ 3.83, d, J = 9.6 4.00, d, d, J = 9.5 76.6 72.5
6″     167.4 76.5
OH 8.31, s      
a

Ref (52).

b

The 13C-NMR for H1′ was not furnished by the authors, potentially leading to misplaced assignments.

c

The signal for the anomeric hydrogen (H1″) was partially superimposed on the solvent signal.

d

These signals may be inverted due to the uncertainty of assignment.