Spektraris NMR
Garciniaflavone E
Common Name: Garciniaflavone E
Synonyms: 2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 7-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl]-3,4,7,8-tetrahydro-5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-, (7S,8R)-
CAS Registry Number: 1622306-48-2
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 | 5.74 | d | 11.8 |
| 3 | 4.92 | d | 11.8 |
| 8 | 5.95 | s | |
| 2' | 7.15 | d | 7.8 |
| 3' | 6.41 | d | 7.8 |
| 5' | 6.41 | d | 7.8 |
| 6' | 7.15 | d | 7.8 |
| 3" | 6.59 | s | |
| 6" | 6.25 | s | |
| 2''' | 7.43 | br s | |
| 5''' | 6.92 | d | 8 |
| 6''' | 7.44 | br d | 8 |
| 1'''' | 2.55 | br s | |
| 2'''' | 1.8 | br s | |
| 4'''' | 1.33 | s | |
| 5'''' | 1.33 | s | |
| 5-OH | 12.66 | s | |
| 5"-OH | 13.09 | s | |
| 2 | 5.54 | d | 12.6 |
| 3 | 4.99 | d | 12.6 |
| 8 | 6.08 | s | |
| 2' | 7.1 | d | 7.8 |
| 3' | 6.46 | d | 7.8 |
| 5' | 6.46 | d | 7.8 |
| 6' | 7.1 | d | 7.8 |
| 3" | 6.62 | s | |
| 6" | 6.15 | s | |
| 2''' | 7.19 | br s | |
| 5''' | 6.95 | d | 8.1 |
| 6''' | 6.62 | br d | 8.1 |
| 1'''' | 2.55 | br s | |
| 2'''' | 1.8 | br s | |
| 4'''' | 1.32 | s | |
| 5'''' | 1.32 | s | |
| 5-OH | 12.55 | s | |
| 5"-OH | 13 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 80.9 |
| 3 | 48.5 |
| 4 | 196.8 |
| 5 | 160.9 |
| 6 (signal overlaps with 10) | 101.9 |
| 7 (signal overlaps with 7") | 162 |
| 8 | 95.8 |
| 9 | 160.1 |
| 10 (signal overlaps with 6) | 101.9 |
| 1' | 128.2 |
| 2' | 128.8 |
| 3' | 114.4 |
| 4' | 157.3 |
| 5' | 114.4 |
| 6' | 128.8 |
| 2" | 163.4 |
| 3" | 102.2 |
| 4" | 181.6 |
| 5" | 160.5 |
| 6" | 98.7 |
| 7" (signal overlaps with 7) | 162 |
| 8" | 100.6 |
| 9" | 155.2 |
| 10" | 103 |
| 1''' | 121 |
| 2''' | 119.3 |
| 3''' | 145.7 |
| 4''' | 149.7 |
| 5''' | 116.1 |
| 6''' | 113.3 |
| 1'''' | 15.5 |
| 2'''' | 31.2 |
| 3'''' | 76.3 |
| 4'''' (interchangeable with 5'''') | 26.3 |
| 5'''' (interchangeable with 4'''') | 26.4 |
| 2 | 81.9 |
| 3 | 47.6 |
| 4 | 197.1 |
| 5 | 161 |
| 6 (signal overlaps with 10) | 101.8 |
| 7 | 162.7 |
| 8 | 95.9 |
| 9 | 160.1 |
| 10 (signal overlaps with 6) | 101.8 |
| 1' | 127.7 |
| 2' | 128.8 |
| 3' | 114.6 |
| 4' | 157.6 |
| 5' | 114.6 |
| 6' | 128.8 |
| 2" | 163.4 |
| 3" | 103.2 |
| 4" | 181.7 |
| 5" | 160.6 |
| 6" | 98 |
| 7" | 162.4 |
| 8" | 100.2 |
| 9" | 154.6 |
| 10" | 103.6 |
| 1''' | 121.6 |
| 2''' | 118.2 |
| 3''' | 146 |
| 4''' | 149.7 |
| 5''' | 115.1 |
| 6''' | 113.8 |
| 1'''' | 15.5 |
| 2'''' | 32.1 |
| 3'''' | 76.5 |
| 4'''' (interchangeable with 5'''') | 26.6 |
| 5'''' (interchangeable with 4'''') | 26.7 |
