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. 2013 Nov 14;11(11):4585–4593. doi: 10.3390/md11114585

Table 1.

1H (500 MHz, CDCl3) and 13C (125 MHz, CDCl3) NMR data, 1H–1H COSY and HMBC correlations for eunicellin 1.

Position δH (J in Hz) δC, Multiple 1H–1H COSY HMBC
1 2.25 dd (11.5, 7.0) 46.1, CH H-10, H-14 C-9, -10, -14, -18
2 3.61 s 93.0, CH n.o. C-1, -3, -9, -10, -14, -15
3 85.2, C
4 2.50 m; 1.97 m 29.2, CH2 H2-5 C-2, -3, -6, -15
5 2.08 m; 1.70 m 23.6, CH2 H2-4, H-6 C-3
6 3.69 dd (12.5, 11.0) 76.3, CH H2-5, OH-6 C-4, -7, -16
7 78.6, C
8 5.40 d (10.0) 79.2, CH H-9 C-7, -9, -10, -16, acetate carbonyl
9 3.77 dd (10.0, 7.0) 78.8, CH H-8, H-10 C-2, -7, -8, -11
10 3.41 dd (7.0, 7.0) 52.0, CH H-1, H-9 C-1, -8, -9, -11, -12, -14, -17
11 147.7, C
12 2.30 br d (12.5); 2.01 m 31.6, CH2 H2-13 n.o.
13 1.78 m; 1.06 m 25.2, CH2 H2-12, H-14 n.o.
14 1.23 m 44.3, CH H-1, H2-13, H-18 C-18
15 1.42 s 23.3, CH3 C-2, -3, -4
16 1.31 s 19.6, CH3 C-6, -7, -8
17 4.73 s; 4.58 s 110.1, CH2 C-10, -11, -12
18 1.70 m 29.0, CH H-14, H3-19, H3-20 C-1, -13, -14, -19, -20
19 0.99 d (7.0) 21.9, CH3 H-18 C-14, -18, -20
20 0.79 d (6.5) 15.3, CH3 H-18 C-14, -18, -19
3-OCOCH2CH2CH3
1′ 173.1, C
2′ 2.67 dt (16.0, 7.5); 2.51 dt (16.0, 7.5) 36.7, CH2 H2-3 C-1′, -3′, -4′
3′ 1.68 m 18.5, CH2 H2-2′, H3-4′ C-1′, -2′, -4′
4′ 1.01 t (7.5) 13.5, CH3 H2-3′ C-2′, -3′
8-OAc 171.5, C
2.05 s 21.4, CH3 Acetate carbonyl
6-OH 4.41 br d (11.0) H-6 n.o.

n.o. = not observed.