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. 2020 May 22;10(5):800. doi: 10.3390/biom10050800

Table 1.

1H NMR (500 MHz) and 13C NMR (125.7 MHz) data for 1315 in CDCl3 (δ in ppm and J in Hz).

Carltonine A (13) Carltonine B (14) Carltonine C (15)
Position δ C δ H δ C δ H δ C δ H
1 59.2 2.58–2.46, m 59.3 2.56–2.45, m 55.2; 55.4 2.66–2.42, m
2 32.8 2.65, t (7.4) 32.7 2.66–2.58, m 32.7; 32.8 2.66–2.42, m
3 132.5 132.2 132.8
4 129.8 7.00–6.96, m 129.7 7.00–6.94, m 129.9 6.93–6.86, m
5 115.1 6.72–6.68, m 115.2 6.75–6.72, m 114.9 6.71–6.65, m
6 154.0 153.9 153.7
7 115.1 6.72–6.68, m 115.2 6.75–6.72, m 114.9 6.71–6.65, m
8 129.8 7.00–6.96, m 129.7 7.00–6.94, m 129.9 6.93–6.86, m
1′ 58.5 3.45, d (14.0)
3.29, d, overlap (14.0)
58.3 3.46, d (13.2)
3.27, d (13.2)
55.1; 55.0 3.43, d (14.5)
3.29, d (14.5);
3.37, s
2′ 130.1 130.6 131.2; 131.0
3′ 132.1 133.3 131.9; 131.8
4′ 113.2 6.76, s 110.2 6.75–6.72, m 113.23; 113.15 6.74, s
5′ 146.9 145.9 146.7
6′ 148.1 147.0 147.9
7′ 111.1 7.10, s, overlap 108.6 7.07, s, overlap 110.6; 110.5 7.15, s;
7.14, s
2″ 57.1 3.32, dt, overlap (17.3, 8.8)
3.20, dt (17.3, 8.8)
57.1 3.35, dt (17.5, 8.7)
3.16, dt (17.5, 8.7)
57.1; 57.0 3.27–3.17, m
3″ 28.6 2.98, t (8.8) 28.6 3.00–2.93, m 28.6 2.99–2.91, m
3a″ 131.2 131.2 131.1
4″ 123.3 7.09, dd, overlap (7.4, 1.0) 123.4 7.08, d, overlap (7.4) 123.3 7.07, d (7.4)
5″ 117.9 6.72, t, overlap (7.4) 118.1 6.70, t, overlap (7.4) 117.9; 117.8 6.71–6.65, m
6″ 130.5 6.82, dd (7.4, 1.0) 130.4 6.79, d (7.4) 130.3; 130.4 6.77, d (7.4)
7″ 123.0 122.9 122.8
7a″ 150.4 150.4 150.3; 150.2
N-Me 42.3 2.20, s 41.9 2.18, s - -
N1″-Me 38.6 2.21, s 38.8 2.23, s 38.51; 38.48 2.14, s;
2.12, s
5′-OMe 55.8 or 55.9 3.34, s - - 55.9 3.84, s
6′-OMe 55.8 or 55.9 3.34, s - - 55.6 3.82, s;
3.81, s
-OCH2O- - - 101.0 5.99, s
5.98, s
- -