1H NMR data of 1–6 in DMSO-d6a.
| 1 | 2 | 3 | 4 | 5 | 6 | |
|---|---|---|---|---|---|---|
| 3 | 5.44, d (4.5) | 5.67, d (4.5) | 4.94, q (6.5) | |||
| 5 | 7.45, d (7.6) | |||||
| 6 | 6.91, t (7.6) | |||||
| 7 | 7.67, d (8.1) | 7.67, d (8.1) | 7.76, d (8.1) | 7.66, d (8.0) | 7.82, d (8.1) | 7.17, t (7.6) |
| 8 | 7.83, dd (7.7, 8.1) | 7.82, dd (7.6, 8.1) | 7.90, dd (7.8, 8.1) | 7.83, dd (6.9, 8.0) | 7.97, dd (7.7, 8.1) | 6.80, d (7.6) |
| 9 | 7.55, dd (7.7, 8.0) | 7.54, dd (7.6, 8.0) | 7.63, dd (7.8, 8.1) | 7.53, dd (6.9, 8.0) | 7.69, dd (7.7, 8.0) | |
| 10 | 8.16, d (8.0) | 8.16, d (8.0) | 8.20, d (8.1) | 8.12, d (8.0) | 8.25, d (8.0) | 5.16, s |
| 13 | 4.20, q (6.8) | |||||
| 14 | 5.33, d (6.7) | 5.37, d (6.9) | 5.36, d (5.2) | 5.57, dd (4.4, 9.4) | 5.49, dd (9.4, 10.5) | |
| 15 | 2.30, dd (1.4, 14.7) | 2.31, d (14.9) | 1.92, d (14.8) | 1.82, dd (4.4, 14.9) | 2.90, dd (9.4, 13.1) | 1.43, d (6.8) |
| 3.11, dd (6.7, 14.7) | 3.12, dd (6.9, 14.9) | 2.98, dd (5.2, 14.8) | 2.58, dd (9.4, 14.9) | 3.44, dd (10.5, 13.1) | ||
| 17 | 4.98, d (1.3) | 5.17, s | 5.69, d (5.9) | 5.25, d (6.6) | 5.55, d (8.7) | 6.14, dd (10.8, 17.4) |
| 18 | 5.05, d (17.4); 5.00, d (10.8) | |||||
| 19 | 1.21, s | |||||
| 20 | 7.35, d (7.9) | 7.32, d (8.5) | 7.38, d (7.7) | 7.34, d (7.8) | 7.46, d (7.7) | 1.21, s |
| 21 | 7.31, dd (7.7, 7.9) | 7.32, dd (7.8, 8.5) | 7.31, dd (7.4, 7.7) | 7.27, dd (7.6, 7.8) | 7.57, dd (7.5, 7.7) | |
| 22 | 7.09, t (7.7) | 7.14, dd (7.8, 8.5) | 7.04, dd (7.4, 7.7) | 7.09, dd (7.5, 7.6) | 7.40, dd (7.5, 8.0) | |
| 23 | 7.36, d (7.7) | 7.31, d (8.5) | 7.26, d (7.7) | 7.80, d (7.5) | 7.66, d (8.0) | |
| 26 | 4.25, dq (1.3, 6.5) | 4.11, dd (2.4, 4.6) | 3.66, dd (1.3, 4.5) | 3.60, dd (1.8, 4.3) | ||
| 28 | 1.43, d (6.5) | 3.79, ddd (2.4, 4.9, 12.2) | 1.83, m | 1.70, m | 0.93, m; 0.72, m | |
| 4.07, ddd (4.6, 4.9, 12.2) | ||||||
| 29 | 1.05, d (6.8) | 0.94, d (6.8) | 1.24, m; 1.06, m | |||
| 30 | 1.58, m; 1.40, m | 1.45, m; 1.26, m | ||||
| 31 | 0.96, t (7.3) | 0.85, t (7.4) | ||||
| 32 | 1.90, s | 1.58, d (6.5) | ||||
| NH-2 | 9.19, d (4.5) | 9.00, d (4.5) | 9.74, s | 8.61, s | 8.30, s; 8.74, s | |
| NH-25 | 2.61, dd (1.3, 5.9) | 3.46, dd (1.8, 6.6) | 4.80, d (8.7) | 9.11, s | ||
| OH-16 | 5.23, d (1.4) | 5.28, s | 5.67, s | 8.79, br s | ||
| OH-28 | 4.93, t (4.9) |
a
Recorded at 400 MHz. Chemical shifts are in ppm, coupling constants J in Hz.