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

Table 1.

1H- and 13C-NMR spectral data of compounds 6, 7 and 8 [(600/150 MHz, in DMSO-d 6, 25 °C, TMS, δ (ppm) (J = Hz)]

Position 6 7 8
δ H δ C δ H δ C δ H δ C
2 164.1 164.0 163.9
3 7.07 (s) 103.7 7.06 (s) 103.9 6.96 (s) 103.3
4 182.0 181.8 181.9
4a 105.4 105.5 105.3
5 161.0 161.2 161.1
6 6.52 (d 2.0) 99.4 6.49 (br s) 99.4 6.52 (d 1.9) 99.3
7 162.5 162.7 162.6
8 7.01 (d 2.0) 95.7 6.86 (br s) 95.2 6.85 (d 1.9) 95.1
8a 156.7 156.9 156.6
1′ 120.1 120.2 119.8
2′ 7.37 (s) 104.7 7.37 (s) 104.6 7.28 (s) 104.3
3′ 148.1 148.2 148.0
4′ 140.0 140.0 140.1
5′ 148.1 148.2 148.0
6′ 7.37 (s) 104.7 7.37 (s) 104.6 7.28 (s) 104.3
3′,5′-OMe 3.89 (s) 56.3 3.89 (s) 56.4 3.88 (s) 56.2
5-OH 12.97 (br s) 13.05 (br s) 13.01 (br s)
1′′ 5.33 (d 5.7) 98.3 5.10 (d 7.4) 99.7 5.15 (d 7.3) 99.5
2′′ 3.55 (m) 82.5 3.30 (m) 73.0 3.32 (m) 72.9
3′′ 3.19 (m) 77.0 3.32 (m) 76.1 3.37 (m) 76.2
4′′ 3.44 (m) 70.9 3.17 (m) 69.6 3.26 (m) 70.0
5′′ 3.98 (m) 74.6 3.75 (m) 73.8 3.82 (m) 73.7
6′′ 170.0 4.34 (d 11.6) 63.8 4.57 (d 11.9) 63.2
4.15 (dd 11.9, 6.5) 4.10 (dd 11.9, 7.3)
1′′′ 4.48 (d 7.9) 104.7 167.4 124.1
2′′′ 2.99 (m) 74.6 3.27 (s) 42.3 6.80 (s) 105.7
3′′′ 3.16 (m) 76.1 167.7 147.8
4′′′ 3.10 (m) 69.6 138.1
5′′′ 3.55 (m) 75.0 147.8
6′′′ 3.53 (m) 60.6 6.80 (s) 105.7
3.44 (m)
7′′′ 7.47 (d 15.9) 145.4
8′′′ 6.44 (d 15.9) 114.3
9′′′ 166.2
3′′′,5′′′-OMe 3.71 (s) 55.7

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