Spektraris NMR
3-O-α-L-rhamnopyranosylmyricetinyl-(I-2″,II-2″)-3-O-α-L-rhamnopyranosylmyricetin
Common Name: 3-O-α-L-rhamnopyranosylmyricetinyl-(I-2″,II-2″)-3-O-α-L-rhamnopyranosylmyricetin
Synonyms: 4H-1-Benzopyran-4-one, 2,2'-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-diyl)bis[3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-
CAS Registry Number: 1280726-81-9
InChI:
InChIKey:
Formula: C42H38O24
Molecular Weight: 926.74
Exact Mass: 926.1753
NMR Solvent: DMSO-d6
MHz: 400 (1H), 100 (13C)
Calibration: not indicated
NMR references: Kamiya, K., Satake, T. (2010). Chemical constituents of Baeckea frutescens leaves inhibit copper-induced low-density lipoprotein oxidation. Fitoterapia 81, 185-189.
Species: Baeckea frutescens - Kamiya, K., Satake, T. (2010). Chemical constituents of Baeckea frutescens leaves inhibit copper-induced low-density lipoprotein oxidation. Fitoterapia 81, 185-189.
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 6, 6'' | 6.01 | d | 2 |
| 8, 8'' | 5.41 | d | 2 |
| 5, 5''-OH | 12.66 | s | |
| 6', 6"' | 6.59 | s | |
| 1"'' (Rha) | 5.06 | br s | |
| 2"'' (Rha) | 3.72 | br s | |
| 3"'' (Rha) | 3.57 | br d | 9.5 |
| 4"'' (Rha) | 3.05 | t | 9.5 |
| 5"'' (Rha) | 3.44 | m | |
| 6"'' (Rha) | 0.85 | d | 5.8 |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2, 2'' | 158.9 |
| 3, 3'' | 135.26 |
| 4, 4'' | 177.83 |
| 5, 5'' | 161.02 |
| 6, 6'' | 98.33 |
| 7, 7'' | 163.78 |
| 8, 8'' | 92.8 |
| 9, 9'' | 156.42 |
| 10, 10'' | 104.18 |
| 1', 1"' | 120.74 |
| 2', 2"' | 117.17 |
| 3', 3"' (may be interchanged with 5', 5"') | 144.26 |
| 4', 4"' | 135.17 |
| 5', 5"' (may be interchanged with 3', 3"') | 144.05 |
| 6', 6"' | 108.73 |
| 1'''' (Rha) | 101.88 |
| 2'''' (Rha) | 69.9 |
| 3'''' (Rha) | 70 |
| 4'''' (Rha) | 71.6 |
| 5'''' (Rha) | 70.21 |
| 6'''' (Rha) | 17.71 |
