Table 2. NMR Data of Compounds 3 and 4 in CDCl3 at 400 MHz (1H) and 100 MHz (13C).
position | 3 | 4 | ||||
---|---|---|---|---|---|---|
|
|
|||||
δH, mult. (J in Hz) | δC (type) | δH, mult. (J in Hz) | δC (type) | HMBCa | ||
1 | α | 1.453, ddd (−13.1, 5.2, 5.1) | 37.95 (CH2) | 1.351, ddd (−13.7, 1.5, 1.3) | 34.90 (CH2) | 2, 3, 4, 16 |
β | 2.303, ddd (−13.1, 9.1, 9.0) | 1.945, ddd (−13.7, 9.5, 8.8) | 2, 14, 15, 16 | |||
2 | 2.801–2.873, m | 39.82 (CH) | 2.364 dqd (8.8, 7.5, 1.3) | 33.80 (CH) | 3, 4, 15, 16 | |
3 | 5.887, s br | 144.53 (CH) | 3.304, s | 72.93 (CH) | 2, 5 | |
4 | 138.38 (C) | 67.58 (C) | ||||
5 | 6.147, s br | 128.11 (CH) | 5.513, q (1.6) | 128.35 (CH) | 3, 4, 7, 15, 17 | |
6 | 135.91 (C) | 145.55 (C) | ||||
7 | 210.63 (C) | 208.41 (C) | ||||
8 | α | 2.896, dd (−13.0, 2.1) | 38.30 (CH2) | 2.945, dd (−12.7, 1.8) | 38.01 (CH2) | 7, 9 10, 13 |
β | 2.519, dd (−13.1, 13.0) | 2.577, dd (−13.3, 12.7) | 6, 7, 9 | |||
9 | 2.430 dd (13.1, 2.1) | 51.34 (CH) | 2.508, dd (13.3, 1.8) | 52.84 (CH) | 10, 13, 18, 19, 20 | |
10 | 37.44 (C) | 37.57 (C) | ||||
11 | α | 2.462 d (−16.7) | 55.46 (CH2) | 2.424, d (−12.0) | 55.52 CH2 | 9, 10, 12, 19 |
β | 2.326 d (−16.7) | 2.424, d (−12.0) | ||||
12 | 218.01 (C) | 217.23 (C) | ||||
13 | 64.55 (C) | 65.72 (C) | ||||
14 | 215.66 (C) | 215.52 (C) | ||||
15 | 4.123, dddd (9.1, 5.1, 2.9, 1.5) | 51.02 (CH) | 3.656, dd (9.5, 1.5) | 46.65 (CH) | 2, 3, 13, 14 | |
16 | 1.126, d (7.0) | 20.54 (CH3) | 1.156, d (7.5) | 16.12 (CH3) | 1, 2, 3 | |
17 | 1.947, s broad | 20.68 (CH3) | 1.945, d (1.6) | 20.54 (CH3) | 5, 6, 7 | |
18 | 1.238, s | 27.92 (CH3) | 1.277, s | 28.29 (CH3) | 9, 10, 11, 19 | |
19 | 0.921, s | 23.59 (CH3) | 0.969, s | 23.67 (CH3) | 9, 10, 18 | |
20 | 1.479, s | 14.04 (CH3) | 1.441, s | 14.60 (CH3) | 9, 13 |
Indicates 2J and 3J interactions.