Table 2.
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 | - | - |