Spektraris NMR
Garciniaflavone F
Common Name: Garciniaflavone F
Synonyms: 2H,8H-Benzo[1,2-b:3,4-b']dipyran-4-one, 3-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl]-2,3,9,10-tetrahydro-5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-, (2R,3S)-
CAS Registry Number: 1622306-49-3
InChI:
InChIKey:
Formula: C35H28O11
Molecular Weight: 624.598
Exact Mass: 624.1632
NMR Solvent: acetone-d6
MHz: 400 (1H), 100 (13C)
Calibration: TMS
NMR references: Ito, T., Yokota, R., Watarai, T., Mori, K., Oyama, M., Nagasawa, H., Matsuda, H., Iinuma, M. (2013). Isolation of Six Isoprenylated Biflavonoids from the Leaves of Garcinia subelliptica. Chem Pharm. Bull. 61, 551-558.
Species: Garcinia subelliptica - Ito, T., Yokota, R., Watarai, T., Mori, K., Oyama, M., Nagasawa, H., Matsuda, H., Iinuma, M. (2013). Isolation of Six Isoprenylated Biflavonoids from the Leaves of Garcinia subelliptica. Chem Pharm. Bull. 61, 551-558.
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 5.78 | d | 12.2 |
| 3 | 4.9 | d | 12.2 |
| 6 | 5.93 | s | |
| 2' | 7.17 | d | 8.4 |
| 3' | 6.41 | d | 8.4 |
| 5' | 6.41 | d | 8.4 |
| 6' | 7.17 | d | 8.4 |
| 3" | 6.57 | s | |
| 6" | 6.23 | s | |
| 2''' | 7.41 | br s | |
| 5''' | 6.91 | d | 8 |
| 6''' | 7.43 | br d | 8 |
| 1'''' | 2.5 | m | |
| 2'''' | 1.75 | m | |
| 4'''' | 1.31 | s | |
| 5'''' | 1.32 | s | |
| 5-OH | 12.03 | s | |
| 5"-OH | 13.09 | s | |
| 2 | 5.61 | d | 12.2 |
| 3 | 5 | d | 12.2 |
| 6 | 5.98 | s | |
| 2' | 7.12 | d | 8.6 |
| 3' | 6.62 | d | 8.6 |
| 5' | 6.62 | d | 8.6 |
| 6' | 7.12 | d | 8.6 |
| 3" | 6.61 | s | |
| 6" | 6.07 | s | |
| 2''' | 7.23 | br s | |
| 5''' | 6.96 | d | 8.6 |
| 6''' | 6.5 | br d | 8.6 |
| 1'''' | 2.5 | br s | |
| 2'''' | 1.75 | m | |
| 4'''' | 1.31 | s | |
| 5'''' | 1.32 | s | |
| 5-OH | 11.98 | s | |
| 5"-OH | 12.99 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 81 |
| 3 | 48.2 |
| 4 | 196.7 |
| 5 | 160.5 |
| 6 | 96.6 |
| 7 | 162 |
| 8 | 100.7 |
| 9 | 159.8 |
| 10 | 101.8 |
| 1' | 128.4 |
| 2' | 128.3 |
| 3' | 114.4 |
| 4' | 157.3 |
| 5' | 114.4 |
| 6' | 128.3 |
| 2" | 163.4 |
| 3" | 102.2 |
| 4" | 181.6 |
| 5" | 160.9 |
| 6" | 98.7 |
| 7" | 162 |
| 8" | 100.6 |
| 9" | 155.3 |
| 10" | 103 |
| 1''' | 121.1 |
| 2''' | 119.3 |
| 3''' | 145.6 |
| 4''' | 149.6 |
| 5''' | 116.1 |
| 6''' | 113.3 |
| 1'''' | 16 |
| 2'''' | 31.2 |
| 3'''' | 76.2 |
| 4'''' | 26.1 |
| 5'''' | 26.8 |
| 2 | 81.1 |
| 3 | 47.4 |
| 4 | 196.8 |
| 5 | 160.7 |
| 6 | 96.7 |
| 7 (signal overlaps with 7") | 162.1 |
| 8 | 100.7 |
| 9 | 160 |
| 10 | 101.9 |
| 1' (signal overlaps with 2', 6') | 128.7 |
| 2' (signal overlaps with 1', 6') | 128.7 |
| 3' | 114.6 |
| 4' | 157.4 |
| 5' | 114.6 |
| 6' (signal overlaps with 1', 2') | 128.7 |
| 2" | 163.4 |
| 3" | 102.3 |
| 4" | 181.7 |
| 5" | 161.1 |
| 6" | 98.8 |
| 7" (signal overlaps with 7) | 162.1 |
| 8" | 100.6 |
| 9" | 155.4 |
| 10" | 103.1 |
| 1''' | 121.1 |
| 2''' | 119.3 |
| 3''' | 145.9 |
| 4''' | 149.8 |
| 5''' | 116.2 |
| 6''' | 113.4 |
| 1'''' | 15 |
| 2'''' | 31.2 |
| 3'''' | 76.3 |
| 4'''' | 26.1 |
| 5'''' | 26.8 |
