Spektraris NMR
Lophirone B
Common Name: Lophirone B
Synonyms: 4H-1-Benzopyran-4-one, 3-[5-[(1E)-3-(2,4- dihydroxyphenyl)-3-oxo-1-propen-1-yl]-2-hydroxyphenyl]-2,3- dihydro-7-hydroxy-2-(4-hydroxyphenyl)-, (2R,3S)-
CAS Registry Number: 123442-40-0
InChI:
InChIKey:
Formula: C30H22O8
Molecular Weight: 510.498
Exact Mass: 510.1315
NMR Solvent: acetone-d6
MHz: 250.13 (1H), 62.8 (13C)
Calibration: TMS
NMR references: Tih, R., Sondengam, B., Martin, M., Bodo, B. (1989). Structure of Lophirones B and C, Biflavonoids From the Bark of Lophira lanceolata. Phytochemistry 28, 1557-1559.
Species: Lophira lanceolata - Tih, R., Sondengam, B., Martin, M., Bodo, B. (1989). Structure of Lophirones B and C, Biflavonoids From the Bark of Lophira lanceolata. Phytochemistry 28, 1557-1559.
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 3''' | 6.353 | d | 2.2 |
| 5''' | 6.432 | dd | 9, 2.2 |
| 6''' | 8.001 | d | 9 |
| α | 7.648 | d | 15.4 |
| β | 7.71 | d | 15.4 |
| 6'' | 7.519 | d | 2.1 |
| 3'' | 6.83 | d | 8.1 |
| 4'' | 7.5 | dd | 8.1, 2.1 |
| 8 | 6.454 | d | 2.2 |
| 6 | 6.629 | dd | 8.6, 2.2 |
| 5 | 7.805 | d | 8.6 |
| 3 | 4.531 | d | 12.2 |
| 2 | 5.933 | d | 12.2 |
| 2' | 7.305 | m | |
| 3' | 6.727 | m | |
| 5' | 6.727 | m | |
| 6' | 7.305 | m | |
| OH | 13.62 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1''' (may be interchanged with 10) | 114.54 |
| 2''' | 167.48 |
| 3''' | 103.8 |
| 4''' | 165.58 |
| 5''' | 108.8 |
| 6''' | 133.1 |
| γ (may be interchanged with 4) | 192.8 |
| α | 118.42 |
| β | 145.13 |
| 5'' | 124.83 |
| 6'' | 133.83 |
| 1'' | 130.28 |
| 2'' (may be interchanged with 4') | 158.53 |
| 3'' | 116.7 |
| 4'' | 130.43 |
| 10 (may be interchanged with 1''') | 115.2 |
| 9 | 164.44 |
| 8 | 103.7 |
| 7 | 165.37 |
| 6 | 111.44 |
| 5 | 130.07 |
| 4 (may be interchanged with γ) | 191.37 |
| 3 | 55.93 |
| 2 | 83.9 |
| 1' | 127.57 |
| 2' | 129.82 |
| 3' | 115.8 |
| 4' (may be interchanged with 2'') | 158.84 |
| 5' | 115.8 |
| 6' | 129.82 |
