Table 1.
NMR spectral data of compound 1 (DMSO-d6, 850 and 214 MHz).
No. | δH [mult., J (Hz)] | δC (mult.) | HMBC |
---|---|---|---|
1 | 2.65 m 1.11 m |
42.6 CH2 | 2, 3, 5 |
2 | 3.73 dd (10.3, 4.2) | 66.8 CH | 1, 3, 5 |
3 | 3.62 d (10.3) | 88.0 CH | 2, 4, 29, 30, 33 |
4 | - | 39.2 C | - |
5 | 1.03 dd (12.8, 3.4) | 51.1 CH | 3, 4, 7, 10, 18 |
6 | 1.66 m 1.52 m |
18.0 CH2 | 5, 7, 8 |
7 | 2.21 m 1.46 m |
26.8 CH2 | 5, 8, 9 |
8 | - | 127.4 C | - |
9 | - | 143.5 C | - |
10 | - | 38.5 C | - |
11 | 4.25 brs | 67.9 CH | 8, 9, 12 |
12 | 5.00 d (3.4) | 78.3 CH | 9, 11, 13, 14, 19, 31 |
13 | - | 47.6 C | - |
14 | 2.06 t (6.2) | 39.8 CH | - |
15 | 1.68 m 1.45 m |
31.3 CH2 | 8, 13, 14, 17 |
16 | 2.28 m 2.18 m |
33.5 CH2 | 14, 15, 17 |
17 | - | 86.0 C | 13, 16, 22 |
18 | 1.20 s | 22.1 CH3 | 1, 5, 9, 10 |
19 | 0.61 s | 13.2 CH3 | 12, 13, 14, 17 |
20 | 1.67 m | 33.0 CH | 17, 21, 23 |
21 | 1.22 d (6.3) | 21.8 CH3 | 17, 20, 22 |
22 | 2.08 m 1.87 m |
31.7 CH2 | 21, 24 |
23 | 2.41 m 1.81 m |
35.0 CH2 | 24, 25, 28 |
24 | - | 155.4 C | - |
25 | 2.19 m | 32.3 CH | 23, 24, 26, 27 |
26 | 0.98 d (6.8) | 21.6 CH3 | 24, 25, 27 |
27 | 0.96 d (6.8) | 21.5 CH3 | 24, 25, 26 |
28 | 4.70 brs 4.66 brs |
106.9 CH2 | 23, 24, 25 |
29 | 0.73 s | 17.9 CH3 | 3, 4, 5, 30 |
30 | 0.91 s | 28.5 CH3 | 3, 4, 5, 29 |
31 | - | 169.5 C | - |
32 | 1.98 s | 20.6 CH3 | 31 |
33 | - | 170.1 C | - |
34 | 2.05 s | 21.0 CH3 | 33 |
2-OH | 5.30 brs | - | 1, 2, 3 |
11-OH | 5.21 d (6.8) | - | 9, 11 |
17-OH | 5.39 s | - | 13, 17 |