Table 2.
Comparison of spectral data of the isolated compound with literature.
| Mass spectrometry fragmentation (m/z) | Carbon number | NMR spectral data (ppm) | IR peaks (cm−1) | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| 13C-NMR peaks | 1H-NMR peaks | |||||||||
| Isolate MeOH |
Lit. MeOH [32] |
Isolate Acetone-d6 |
Lit. MeOD [33] |
Lit. (DMSO-d6) [32] |
Isolate Acetone-d6 |
Lit. MeOD [33] |
Lit. (DMSO-d6) [32] |
Isolate Neat |
Lit. MeOH [32] |
|
| 153.0 | 153.0 | C2 | 80.0 | 80.5 | 78.5 | 5.39 | 5.27 | 5.36 | 3354 | 3367 |
| 163.0 | 163.0 | C3 | 43.6 | 44.1 | 42.1 | 2.70 | 2.69 | 2.66 | 2916 | — |
| 179.0 | 179.0 | C4 | 197.2 | 197.7 | 196.3 | 3.11 | 3.06 | 3.15 | 2849 | — |
| 288.3 | 288.0 | C5 | 165.3 | 165.4 | 163.6 | 12.17 | — | 12.15 | 1656 | 1636 |
| C6 | 96.7 | 97.0 | 95.8 | 5.94 | 5.86 | 5.85 | 1599 | 1602 | ||
| Melting point (°C) | C7 | 167.4 | 168.4 | 166.6 | 8.50 | — | 9.05 | 1449 | 1447 | |
| [270–272°C] | C8 | 95.8 | 96.1 | 95.0 | 5.95 | 5.88 | 5.85 | 1157 | 1160 | |
| [259–271°C]: lit. [32] | C9 | 164.3 | 164.8 | 163.5 | — | — | — | 1082 | 1086 | |
| C10 | 103.2 | 103.3 | 101.8 | — | — | — | ||||
| C1′ | 131.5 | 131.7 | 129.5 | — | — | — | ||||
| C2′ | 114.7 | 114.6 | 114.4 | 7.03 | 6.90 | 6.87 | ||||
| C3′ | 146.0 | 146.5 | 145.2 | 8.50 | — | 9.05 | ||||
| C4′ | 146.4 | 146.9 | 145.7 | 8.50 | — | 9.05 | ||||
| C5′ | 116.0 | 116.2 | 115.4 | 6.87 | 6.77 | 6.74 | ||||
| C6′ | 119.2 | 119.2 | 117.9 | 6.87 | 6.78 | 6.74 | ||||