Table 3.
1H (400 MHz) and 13C NMR (100 MHz) data for compound 3 in 2H6 DMSO.
| Position | Chemical shift δ ppm | HMBC | |
|---|---|---|---|
| 1H (mult, J Hz) | 13C (mult) | (1H-13C) | |
| 1 | — | 162.5 (C) | — |
| 2 | 6.36 (d, 2.3) | 97.9 (CH) | |
| 3 | — | 156.8 (C) | — |
| 4 | 6.57 (d, 2.3) | 93.0 (CH) | C-2 |
| 4a | — | 154.3 (C) | — |
| 4b | — | 146.4 (C) | — |
| 5 | 7.03 (d, 8.2) | 125.7 (CH) | C-7, C-8a |
| 6 | 7.24 (d, 8.2) | 120.7 (CH) | C-4b, C-8 |
| 7 | — | 144.5 (C) | — |
| 8 | — | 132.9 (C) | — |
| 8a | — | 118.3 (C) | — |
| 9 | — | 183.0 (C) | — |
| 9a | — | 103.9 (C) | — |
| 10 | — | — | — |
| 11 | 3.90, 2H (d, 7.2) | 32.8 (CH2) | C-8, C-12 |
| 12 | 5.33, 1H (t) | 124.0 (CH) | |
| 13 | — | 131.6 (C) | — |
| 14 | 1.68, 3H (d, 1.3) | 26.1 (CH3) | C-12, C-13, C-15 |
| 15 | 1.71, 3H (d, 1.3) | 18.3 (CH3) | C-12, C-13, C-14 |
| 16 | 4.69, 2H (d, 6.8) | 65.9 (CH2) | C-17, C-18 |
| 17 | 5.47, 1H (t) | 119.6 (CH) | |
| 18 | — | 138.7 (C) | — |
| 19 | 1.78, 3H (d, 1.3) | 25.9 (CH3) | C-17, C-18, C-20 |
| 20 | 1.74, 3H (d, 1.3) | 18.6 (CH3) | C-17, C-18, C-19 |
| 1-OH | 13.19, 1H (s) | — | C-1, C-2, C-9a |
| 7-OH | 10.21 (s) | — | |