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. 2018 Sep 17;23(9):2377. doi: 10.3390/molecules23092377

Table 2.

1H- and 13C-NMR data (500 and 125 MHz) a of 2 in CD3CN.

Position δC, Type δH, (J in Hz) HMBC
1 33.6, CH2 2.18, dd (13.9, 6.8); 1.21, m C-2, 3, 6, 7, 10, 11
2 40.4, CH 2.74, dt (13.9, 7.2) C-1, 4, 5, 6
3 42.0, CH 2.45, p (7.4) C-2, 4, 18
4 212.4, CO -
5 58.4, CH 3.29, s C-4, 6
6 79.4, C -
7 51.7, C -
8 216.6, CO -
9 86.1, CH 4.38, d (2.8) C-8, 10, 20
10 54.6, C
11 61.5, C
12 33.2, CH2 1.89, ddd (12.3, 8.8, 3.9); 1.59, m C-7, 10, 11, 13
13 23.5, CH2 1.59, m
14 52.7, CH 1.38, td (9.5, 2.5) C-9, 10, 15, 16, 17, 20
15 29.0, CH 2.09, pd (6.9, 2.5) C-10, 13, 14, 16, 17
16 25.2, CH3 0.84, d (5.4) C-14, 15, 17
17 19.8, CH3 0.83, d (5.6) C-16
18 9.5, CH3 0.94, d (7.4) C-2, 3, 4
19 15.4, CH3 0.92, s C-6, 7, 8, 11
20 16.2, CH3 1.21, s C-9, 10, 11, 14

a Assignments (δ values) were confirmed by the HSQC and HMBC experiments.