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. 2018 Oct 9;23(10):2579. doi: 10.3390/molecules23102579

Table 1.

1H and 13C-NMR data of quercetagetin (2) and patuletin (3) (ppm).

2 a 3
Measured b Literature c
Position δc (J in Hz) δH (J in Hz) Position δc (J in Hz) δH (J in Hz) δc (J in Hz) δH (J in Hz)
4 175.84 4 177.58 177.86
5 153.58 9 158.46 d 158.76 d
7 148.81 5 153.61 d 153.89 d
4′ 147.57 7 153.00 d 153.28 d
2 146.64 4′ 148.82 149.10
6 145.88 2 148.28 148.56
3′ 145.04 3′ 146.22 146.51
3 135.32 3 136.96 137.25
9 128.53 6 132.17 132.47
1′ 122.21 1′ 124.14 124.43
6′ 119.91 7.53 (dd, J = 8.5, 2.2) 6′ 121.72 7.64 dd (J = 8.5, 2.2) 122.02 7.65 dd (J = 8.4, 2.2)
5′ 115.59 6.88 (d, J = 8.5) 2′ 116.22 7.74 d (J = 2.2) 116.52 7.76 (J = 2.2)
2′ 115.03 7.66 (d, J = 2.2) 5′ 116.02 6.89 d (J = 8.5) 116.31 6.92 d (J = 8.5)
10 103.31 10 104.95 105.25
8 93.22 6.49 (s) 8 94.70 6.50 s 95.00 6.52 s
OCH3 60.97 3.89 s 61.27 3.92 s
C5-OH 12.25 (s)
C6-OH 10.48 (s)
C3′-OH 9.55 (s)
C4′-OH 9.28 (s)
C3-OH 9.19 (s)
C7-OH 8.65 (s)

a 700 MHz, DMSO-d6; b 700 MHz, CD3OD; c 400 MHz, CD3OD; d these values may be interchangeable.