Spektraris NMR
Linobiflavonoid
Common Name: Linobiflavonoid
Synonyms: 4H-1-Benzopyran-4-one, 3-[2,3-dihydro-4,6-dihydroxy-2-[(4-hydroxyphenyl)methyl]-3- oxo-2-benzofuranyl]-2,3-dihydro-5,7-dihydroxy-2-(4- hydroxyphenyl)-, (2S,3R)-
CAS Registry Number: 1383565-25-0
InChI:
InChIKey:
Formula: C30H22O10
Molecular Weight: 542.496
Exact Mass: 542.1213
NMR Solvent: CD3OD
MHz: 400 (1H), 100 (13C)
Calibration: not indicated
NMR references: Navarat, T., Pyne, S., Prawat, U., Tuntiwachwuttikul, P. (2011). Isolation of linobiflavonoid, a novel biflavonoid from Linostroma pauciflorum Griff. Phytochem. Lett. 4, 383-385.
Species: Linostroma pauciflorum - Navarat, T., Pyne, S., Prawat, U., Tuntiwachwuttikul, P. (2011). Isolation of linobiflavonoid, a novel biflavonoid from Linostroma pauciflorum Griff. Phytochem. Lett. 4, 383-385.
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 5.7 | br s | |
| 3 | 3.5 | br s | |
| 6 | 5.83 | d | 1.9 |
| 8 | 5.79 | d | 1.9 |
| 2', 6' | 7.08 | d | 8.6 |
| 3', 5' | 6.7 | d | 8.6 |
| 5" | 5.77 | d | 1.2 |
| 7" | 5.72 | d | 1.2 |
| 2''', 6''' | 7.08 | d | 8.4 |
| 3''', 5''' | 6.55 | d | 8.4 |
| Ha or Hb (HMBC correlation with C-2", C-3", C-6''') | 3.3 | d | 14 |
| Ha or Hb | 3.17 | d | 14 |
| 5-OH (spectrum run in acetone-d6) | 11.9 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 76 |
| 3 | 54.3 |
| 4 | 192.1 |
| 10 | 104.6 |
| 5 | 163.7 |
| 6 | 95.6 |
| 7 | 167.4 |
| 8 | 95.4 |
| 9 | 161.2 |
| 1' | 129.1 |
| 2', 6' | 127.5 |
| 3', 5' | 114.9 |
| 4' | 157.6 |
| 2" | 90.7 |
| 3" | 196.3 |
| 9" | 103.6 |
| 4" | 157 |
| 5" | 89.5 |
| 6" | 168.9 |
| 7" | 89.3 |
| 8" | 173.2 |
| 1''' | 124.6 |
| 2''', 6''' | 131.6 |
| 3''', 5''' | 114.3 |
| 4''' | 155.8 |
| Ha or Hb (HMBC correlation with C-2", C-3", C-6''') | 39.6 |
| Ha or Hb | 39.6 |
