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. 2013 Dec 29;10(4):543–555. doi: 10.1007/s11306-013-0619-5

Table 2.

1H- and 13C-NMR spectral data of compounds 9 and 24 [(600/150 MHz, TMS, δ (ppm) (J = Hz)]

Position 9 a 24 b
δ H δ C δ H δ C
2 165.3 163.5
3 6.64 (s) 106.08 6.56 (s) 102.6
4 183.9 181.6
4a 105.5 103.1
5 163.4 156.5
6 6.10 (d 2.0) 100.4 108.3
7 166.4 163.9
8 6.34 (d 2.0) 95.3 6.37 (s) 93.6
8a 159.6 160.7
1′ 128.1 121.4
2′ 7.26 (s) 105.3 7.375 (s) 113.1
3′ 154.8 145.8
4′ 140.7 150.0
5′ 154.8 6.87 (d 8.0) 116.0
6′ 7.26 (s) 105.3 7.382 (d 8.0) 118.8
3′,5′-OMe 3.96 (s) 57.1
5-OH 13.55 (br s)
1′′ 130.9 4.58 (d 9.4) 72.2
2′′ 6.81 (s) 106.13 4.60 (m) 78.7
3′′ 148.9 3.61 (d 5.9) 74.5
4′′ 136.2 3.80 (m) 68.6
5′′ 148.9 3.75 (d 11.5) 70.2
3.52 (d 11.7)
6′′ 6.81 (s) 106.13
7′′ 5.17 (d 5.5) 82.0
8′′ 4.55 (m) 86.9
9′′ 3.72 (dd 12.1, 4.3) 61.8
3.39 (m)
3′′,5′′-OMe 3.84 (s) 56.9
1′′′ 4.57 (d 7.5) 104.9 4.19 (d 7.7) 104.9
2′′′ 4.33 (m) 75.7 2.87 (t 8.3, 8.6) 74.6
3′′′ 3.42 (m) 78.2 3.06 (t 8.9) 76.5
4′′′ 3.19 (m) 71.5 2.97 (t 8.9, 9.3) 69.8
5′′′ 3.37 (m) 77.9 2.70 (t 9.3) 76.2
6′′′ 3.75 (dd 11.9, 2.3) 62.6 3.16 (m) 60.8
3.60 (dd 11.9, 5.3)

s Singlet, m multilet, d doublet, dd double doublet, br s broad singlet, t triplet

ain CD3OD, 25 °C

bin DMSO-d 6, 45 °C