Spektraris NMR
Lophirone M
Common Name: Lophirone M
Synonyms: 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-[4-hydroxy-3-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl]phenyl]-, (2R,3R)-
CAS Registry Number: 908569-92-6
InChI:
InChIKey:
Formula: C30H20O10
Molecular Weight: 540.48
Exact Mass: 540.1057
NMR Solvent: acetone-d6
MHz: 400 (1H), 100 (13C)
Calibration: TMS
NMR references: Tih, A., Ghogomu, R., Sondengam, B., Caux, C., Bodo, B. (2006). Minor Biflavonoids from Lophira alata Leaves. J. Nat. Prod. 69, 1206-1208.
Species: Lophira alata - Tih, A., Ghogomu, R., Sondengam, B., Caux, C., Bodo, B. (2006). Minor Biflavonoids from Lophira alata Leaves. J. Nat. Prod. 69, 1206-1208.
Notes: NMR data can be found in the supporting information.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 5.93 | d | 12 |
| 3 | 4.77 | d | 12 |
| 6 | 6.01 | d | 1.9 |
| 8 | 5.99 | d | 1.9 |
| 2' | 7.75 | d | 2.1 |
| 5' | 6.96 | d | 9.1 |
| 6' | 7.75 | dd | 2.1, 9.1 |
| 3" | 6.53 | s | |
| 6" | 7.24 | d | 1.9 |
| 8" | 7.48 | d | 1.9 |
| 2''', 6''' | 7.3 | d | 8.4 |
| 3''', 5''' | 6.74 | d | 8.4 |
| 5-OH | 12.96 | ||
| 5"-OH | 12.23 |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 83.3 |
| 3 | 85.5 |
| 4 | 198 |
| 10 | 103 |
| 5 | 167.5 |
| 6 | 97 |
| 7 | 164.2 |
| 8 | 96 |
| 9 | 165.3 |
| 1' | 130.4 |
| 2' | 131 |
| 3' | 124.1 |
| 4' | 162 |
| 5' | 116.7 |
| 6' | 128.2 |
| 2" | 164.8 |
| 3" | 104.4 |
| 4" | 183 |
| 10" | 106.8 |
| 5" | 165.1 |
| 6" | 110.1 |
| 7" | 128 |
| 8" | 108.3 |
| 9" | 159.2 |
| 1''' | 124 |
| 2''', 6''' | 130 |
| 3''', 5''' | 115.9 |
| 4''' | 158.6 |
