Table 2.
NMR Spectroscopic Data (400 MHz, Methanol-d4) for Compound 4
| position | δC,a type | δh (J in Hz) | HMBC |
|---|---|---|---|
| 1 | 204.7, qC | ||
| 2 | 30.0, CH2 | 2.85, t (8.3) | 6″, 7″, 8″, 1, 2 |
| 3 | 45.4, CH2 | 3.28 | 7”, 1, 3 |
| 1′a | 162.2, qC | ||
| 2′ | 75.6, qC | ||
| 3′ | 31.2, CH2 | 1.77, t (6.8) | 4′a, 2′, 4′ 9′, 10′ |
| 4′ | 16.2, CH2 | 2.56, t (6.8) | 5′, 4′a, 8′a, 2′, 3′ |
| 4′a | 100.0, qC | ||
| 5′ | 157.0, qC | ||
| 6′ | 104.8, qC | ||
| 7′ | 164.5, qC | ||
| 8′ | 94.0, CH | 5.87, s | 6′, 4′a, 7′, 8′a |
| 9′ | 25.0, CH3 | 1.34, s | 2′, 10′, 3″ |
| 10′ | 41.0, CH3 | 1.34, s | 2′, 3′, 9′ |
| 1″ | 22.1, qC | ||
| 2″ | 39.5, CH2 | 1.58 and 1.90, m | 1″, 12″, 4‴a |
| 3″ | 19.5, CH2 | 1.63, m | 4″a, 1″ |
| 4″ | 41.2, CH2 | 1.48, m | |
| 4″a | 75.0, qC | ||
| 5″ | 116.0, CH | 6.57, d (8.5) | 7″, 5″a, 8″a |
| 5″a | 151.9, qC | ||
| 6″ | 129.4, CH | 6.89, m | 8″, 5″a |
| 7″ | 132.2, qC | ||
| 8″ | 126.6, CH | 6.89, m | 5″a, 6″, 9″ |
| 8″a | 120.0, qC | ||
| 9″ | 23.0, CH2 | 2.64, m | 8″, 5″a, 4′a, 4″a, 9″a |
| 9″a | 48.0, CH | 1.65, m | 4″a |
| 10″ | 18.5, CH3 | 1.18, s | 4″, 4″a, 9″a |
| 11″ | 33.1, CH3 | 0.93, s | 4″, 12″, 9″a |
| 12″ | 31.0, CH3 | 1.01, s | 4″, 3″, 1″, 11″, 9″a |
a
13C NMR values obtained from projections of the HSQC and HMBC data (100 MHz, methanol-d4).