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. 2023 Apr 23;13(5):582. doi: 10.3390/metabo13050582

Table 1.

1H and 13C NMR data of isocaloteysmannic acid (1) in CD3OD (600 MHz for 1H and 150 MHz for 13C).

Position δH m (J in Hz) δC
2 - 177.2
3 3.07, dd (15.2, 7.2)
3.27, dd (15.2, 8.2)
38.2
4 5.0, 7 brt a (7.7) 36.3
4a - 113.0
4b - 160.9
6 - 79.2
7 5.48, d (10.0) 127.3
8 6.49, d (10.0) 116.7
8a - 102.9
8b - 156.8
10 4.18, dq (11.3, 6.2) 80.3
11 2.61, dq (11.3, 6.9) 46.9
12 - 200.7
12a - 102.6
12b - 162.2
13 1.01, s 27.5
14 1.41, s 28.5
15 1.49, d (6.2) 19.8
16 1.19, d (6.9) 10.3
1′ - 145.2
2′, 6′ 7.33, d (7.6) 128.8
3′, 5′ 7.20, brt (7.5) 128.8
4′ 7.10, brt (7.3) 126.7

a br: broad.