Table 2.
NMR data of 1 and PSEC620 (δ in ppm).
| No. | 1 |
PSEC620 [23] |
|||
|---|---|---|---|---|---|
| δH (J, Hz) | δC type | HMBC (1H to13C) | δH (J, Hz) | δC type | |
| 2 | 4.94 s | 76.9 | C-3, 4, 9, 1′, 2′ | 4.99 s | 77.0 |
| 3 | 5.32 s | 68.2 | C-4 | 5.30 br s | 68.6 |
| 4α | 2.67 m | 26.2 | C-2, 3, 5, 8 | 2.67 d (16.8) | 26.4 |
| 4β | 2.94 dd (16.5, 5.0) | C-9 | 2.93 dd (16.8, 4.7) | ||
| 5 | 154.1 | 154.5 | |||
| 6 | 5.98 s | 95.7 | C-5, 8, 10 | 5.97 s | 96.2 |
| 7 | 154.1 | 154.5 | |||
| 8 | 97.8 | 108.8 | |||
| 9 | 155.0 | 155.4 | |||
| 10 | 108.4 | 97.9 | |||
| 1′ | 129.0 | 130.1 | |||
| 2′ | 6.45 s | 105.6 | C-2, 3′, 4′, 6′ | 6.85 d (1.8) | 114.5 |
| 3′ | 145.8 | 145.1 | |||
| 4′ | 132.4 | 145 | |||
| 5′ | 145.8 | 6.62 d (8.2) | 115.5 | ||
| 6′ | 6.45 s | 105.6 | C-2, 2′, 4′, 5′ | 6.69 dd (8.2, 1.8) | 117.8 |
| 1″ | 119.4 | 119.2 | |||
| 2″ | 6.85 s | 108.9 | C-1″, 3″, 4″, 6″, 7″ | 6.80 s | 109.2 |
| 3″ | 145.5 | 145.9 | |||
| 4″ | 139.0 | 139.2 | |||
| 5″ | 145.5 | 145.9 | |||
| 6″ | 6.85 s | 108.9 | C-1″, 2″, 4″, 5″, 7″ | 6.80 s | 109.2 |
| 7″ | 165.5 | 165.7 | |||
| 1‴ | 135.2 | 135.6 | |||
| 2‴ | 7.14 d (7.5) | 128.5 | C-3‴, 4‴ | 7.09 d (7.3) | 128.8 |
| 3‴ | 6.63 d (8.5) | 115.4 | C-5‴ | 6.62 d (7.3) | 115.1 |
| 4‴ | 155.0 | 155.4 | |||
| 5‴ | 6.63 d (8.5) | 114.7 | C-3‴, | 6.62 d (7.3) | 115.1 |
| 6‴ | 7.14 d (7.5) | 128.5 | C-4‴, 5‴ | 7.09 d (7.3) | 128.8 |
| 7‴ | 4.90 s | 32.8 | C-8, 1‴, 9‴ | 4.88 d (7.5) | 35.8 |
| 8‴ | 3.08 dd (15.5, 8.0) | 37.0 | C-1‴, 7‴, 9‴ | 3.00 dd (14.4, 7.5) | 33.5 |
| 2.84 d (15.5) | C-7‴ | 2.82 d (14.4) | |||
| 9‴ | 172.9 | 173.3 | |||
| OMe | 3.49 s | 50.8 | C-9''' | 3.46 s | 51.4 |
1H NMR was recorded at 500 MHz in DMSO-d6, and 13C NMR was recorded at 125 MHz in DMSO-d6. (s, single peak; d, double peak; t, triple peak; m, multiple peaks).