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. 2015 Feb 2;20(2):2576–2590. doi: 10.3390/molecules20022576

Table 2.

1H- and 13C-NMR, COSY and HMBC spectral data of compound (MYA-3) (CDCl3).

Position H C COSY HMBC (H with C)
1 - 172.1 - -
2 2.42, 2.32 m 39.3(CH2) 3.86 172.1, 69.9, 35.1
3 3.86, m 69.9(CH) 2.32, 2.42 43, 172.1
4 1.67, m 35.1(CH) 3.86, 1.25, 0.84 69.9, 39.3, 27.2
5 0.92, 1.25 43.1(CH2) 1.67, 1.57 18.23, 47.8, 69.9
6 1.57 27.2(CH) 1.10, 0.97, 1.25 26.3, 35.1
7 0.97, 1.10 47.8 1.62, 1.57 37.5, 43.1
8 1.62 26.3(CH) 0.85, 1.03, 1.1 65.3, 27.2
9 1.03, 0.76 37.5(CH2) 1.85, 1.62 14.9, 73.2, 26.3
10 1.85 65.3(CH) 4.1, 1.03 118.1, 26.3
11 4.10, d, J = 9.6 73.2(CH) 1.85 116.1, 37.47, 143.9, 14.9
12 - 118.1 - -
13 6.80, d, J = 10.8 143.9(CH) 6.40 118.1, 138.5, 73.2,126.9
14 6.40, m 126.9(CH) 6.20, 6.80 116.1, 35.9, 143.9
15 6.20, m 138.5(CH) 6.40, 2.56 143.9, 35.9, 76.6
16 2.56, 2.59, m 35.9(CH2) 5.0, 6.20 126.9, 138.5, 76.5, 45.9
17 5.0, m 76.5 (CH) 2.56, 2.59, 2.70 172.1,138.5, 29.6,35.9
18 2.70, t 45.9 (CH) 1.30, 1.97, 2.51 176.1, 76.5, 47.8, 29.6
19 1.97, 1.30m 29.6(CH2) 2.70, 5.0, 2.51 76.5, 47.8, 31.1, 25.2
20 1.83, 1.79 25.2 (CH2) 1.30, 2.03, 1.90 45.9, 47.8
21 2.03, 1.90 m 31.1(CH2) 1.83, 1.79, 2.51 176.1, 45.9, 47.8
22 2.51, m 47.8(CH) 1.90, 2.03, 2.70 176.1, 76.5, 45.9, 29.6, 31.1
CH3 at C4 0.84, d, J = 6 17.0 - 35.1, 43.1, 69.9
CH3 at C6 0.80, d, J = 6 18.2 - 27.2, 47.8, 43.1
CH3 at C8 0.85, d, J = 6 20.2 - 26.3, 37.5, 47.8
CH3 at C10 1.04, d, J = 6 14.9 - 65.3, 73.2
CN - 116.1 - -
COOH - 176.1 - -