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. 2014 Aug 7;9(8):e104544. doi: 10.1371/journal.pone.0104544

Table 1. 1H (600 MHz) and 13C (150 MHz) NMR spectroscopic data (in CD3OD) of compound 1.

Moiety Position 1
δ C δ H(J in Hz) HMBC (H to C) COSY (H to H)
Aglycone moiety 1 137.3
2 111.6 6.97 s 1, 4, 6, 7 6
3 150.6
4 147.1
5 117.6 6.98 d (8.4) 1, 3, 4 6
6 119.2 6.46 dd (8.4, 1.8) 2, 4, 7 2, 5
7 87.0 4.70 d (5.4) 1, 2, 6, 8, 9′ 8
8 55.4 3.01 m 1, 8′ 7, 9, 8′
9 72.8 4.27 dd (9.0, 7.2) 7, 8 8, 9
3.83 m 8, 7′ 8, 9
3-OMe 56.7 3.86 s 3
1′ 133.7
2′ 111.0 7.00 d (1.8) 4′, 6′, 7′ 6′
3′ 149.1
4′ 147.3
5′ 116.0 6.80 d (7.8) 1′, 3′ 6′
6′ 120.2 6.85 dd (7.8, 1.8) 7, 2′, 4′, 7′ 2′, 5′
7′ 87.6 4.69 d (5.4) 1′, 2′, 6′ 8′
8′ 55.3 3.11 m 7, 8, 1′ 8, 7′, 9′
9′ 72.5 4.15 dd (9.0, 6.6) 7′ 8′, 9′
3.87 m 7, 8′ 8′, 9′
3′ -OMe 56.4 3.90 s 3′
Sugar moiety 1″ 102.4 4.88 d (7.2) 4 2″
2″ 74.8 3.54 m 1″, 3″ 1″, 3″
3″ 77.8 3.53 m 2″, 4″ 2″, 4″
4″ 72.2 3.43 t (8.4) 3″, 5″ 3″, 5″
5″ 75.6 3.79 m 4″, 6″ 4″, 6″
6″ 65.0 4.65 dd (11.7, 1.8) 7″′ 5″, 6″
4.49 dd (11.7, 7.8) 5″, 7″′ 5″, 6″
Vanilloyl moiety 1″′ 122.5
2″′ 113.8 7.56 d (1.8) 1″′, 3″′, 4″′, 6″′, 7″′ 6″′
3″′ 148.8
4″′ 153.1
5″′ 116.0 6.90 d (8.4) 1″′, 3″′, 4″′ 6″′
6″′ 125.3 7.61 dd (8.4,1.8) 2″′, 4″′, 7″′ 2″′, 5″′
7″′ 167.7
3″′-OMe 56.5 3.86 s 3″′