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. 2018 May 3;8(29):16383–16391. doi: 10.1039/c8ra02240b

1H (600 MHz) and 13C NMR (150 MHz) NMR data for compounds 1–3.

Position 1a 2b 3b
δ H (J in Hz) δ C δ H (J in Hz) δ C δ H (J in Hz) δ C
1 132.3
2 8.09, s 156.0 8.19, s 157.2 6.98, br s 112.2
3 122.9 122.0 145.6
4 182.5 182.8 149.4
4a 104.8 106.0
5 157.2 158.1 130.4
6 106.5 107.0 6.98, br s 116.6
7 159.7 160.1 5.59, d (16.2) 134.3
8 103.2 103.8 6.19, m 124.3
8a 153.3 154.7
9 2.74, dd (17.4, 10.2) 21.8 2.73, dd (16.8, 10.8) 22.6 4.08, dd (6.0, 1.2) 74.3
2.98, dd (17.4, 5.4) 2.99, dd (16.8, 4.8)
8-CH3 2.22, s 7.7 2.23, s 7.6
3-OCH3 3.90, s 56.8
9-OCH3 3.39, s 58.0
1′ 120.4 119.8 134.3
2′ 156.2 156.8 6.96, d (1.8) 110.6
3′ 7.10, dd (7.8, 1.2) 119.8 6.94, dd (7.8, 1.2) 117.2 149.1
4′ 7.36, ddd (7.8, 7.8, 1.8) 130.8 7.29, ddd (7.8, 7.8, 1.8) 132.7 147.7
5′ 7.00, ddd (7.8, 7.8, 1.2) 121.3 6.92, ddd (7.8, 7.8, 1.2) 120.7 6.79, d (7.8) 116.2
6′ 7.19, dd (7.8, 1.8) 129.9 7.26, dd (7.8, 1.8) 130.9 6.84, dd (7.8, 1.8) 119.9
7′ 5.50, d (6.6) 89.7
8′ 3.63, m 52.7
9′ 3.65, m 75.7
3.72, m
3′-OCH3 3.84, s 56.4
9′-OCH3 3.41, s 59.3
1′′ 131.1 131.4
2′′ 6.92, d (1.8) 109.1 6.73, s 105.3
3′′ 147.0 149.4
4′′ 146.1 136.7
5′′ 6.95, d (7.8) 114.6 149.4
6′′ 6.91, dd (7.8, 1.8) 120.0 6.73, s 105.3
7′′ 5.02, d (9.0) 81.0 5.02, d (8.4) 82.0
8′′ 2.25, m 39.7 2.26, m 40.8
9′′ 3.55, dd (10.8, 4.8) 63.4 3.43, dd (10.8, 4.8) 63.4
3.65, dd (10.8, 4.8) 3.55, dd (10.8, 4.8)
3′′-OCH3 3.92, s 56.2 3.87, s 56.8
5′′-OCH3 3.87, s 56.8
5-OH 12.54, s
a

Recorded in CDCl3.

b

Recorded in methanol-d4.