Spektraris NMR
M-phloridzin-(I-5, II-3')-phloretin-4-O-glucoside
Common Name: M-phloridzin-(I-5, II-3')-phloretin-4-O-glucoside
Synonyms: 1-Propanone, 1-[2-(β-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-[(1S)-6'-(β-D-glucopyranosyloxy)-2',4',5,6-tetrahydroxy-3'-[3-(4-hydroxyphenyl)-1-oxopropyl][1,1'-biphenyl]-3-yl]-
CAS Registry Number: 1422358-21-1
InChI:
InChIKey:
Formula: C42H46O21
Molecular Weight: 886.809
Exact Mass: 886.2532
NMR Solvent: DMSO-d6
MHz: 600 (1H), 150 (C13)
Calibration: TMS
NMR references: Wang, S., Zhu, X., Wang, X., Shen, T., Xiang, F., Lou, H. (2013). Flavonoids from Malus hupehensis and their cardioprotective effects agains doxorubicin-induced toxicity in H9c2 cell. Phytochemistry 87, 119-125.
Species: Malus hupehensis - Wang, S., Zhu, X., Wang, X., Shen, T., Xiang, F., Lou, H. (2013). Flavonoids from Malus hupehensis and their cardioprotective effects agains doxorubicin-induced toxicity in H9c2 cell. Phytochemistry 87, 119-125.
Notes: atropisomer with 522: *ppm range 3.32-3.51
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 6.64 | br s | |
| 6 | 6.33 | br s | |
| 7 | 2.44 | m | |
| 8 | 3.25 | m | |
| 3' | 6.11 | d | 1.2 |
| 5' | 5.91 | d | 1.2 |
| glc-1a | 4.9 | d | 7.2 |
| glc-2a | 3.32 | m | |
| glc-3a | 3.32 | m | |
| glc-4a | 3.32 | m | |
| glc-5a | 3.32 | m | |
| glc-6a | 3.35 | m | |
| glc-6a | 3.7 | m | |
| 2'' | 7.05 | d | 8.4 |
| 3'' | 6.65 | d | 8.4 |
| 5'' | 6.65 | d | 8.4 |
| 6'' | 7.05 | d | 8.4 |
| 7'' | 2.79 | m | |
| 8'' | 3.32 | m | |
| 5''' | 6.27 | s | |
| glc-1b | 4.98 | d | 7.2 |
| glc-2b | 3.32 | m | |
| glc-3b | 3.32 | m | |
| glc-4b | 3.32 | m | |
| glc-5b | 3.32 | m | |
| glc-6b | 3.35 | m | |
| glc-6b | 3.7 | m |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 131.8 |
| 2 | 115.5 |
| 3 | 144.7 |
| 4 | 142.7 |
| 5 | 123.8 |
| 6 | 118.9 |
| 7 | 26.7 |
| 8 | 44.3 |
| 9 | 205.5 |
| 1' | 105.6 |
| 2' | 161.3 |
| 3' | 94.7 |
| 4' | 164.8 |
| 5' | 97.3 |
| 6' | 165.6 |
| glc-1a | 101.4 |
| glc-2a | 73.6 |
| glc-3a | 77.7 |
| glc-4a | 69.8 |
| glc-5a | 77.3 |
| glc-6a | 61 |
| 1'' | 132.1 |
| 2'' | 129.7 |
| 3'' | 115.4 |
| 4'' | 155.7 |
| 5'' | 115.4 |
| 6'' | 129.7 |
| 7'' | 29.5 |
| 8'' | 45.6 |
| 9'' | 205.3 |
| 1''' | 104.8 |
| 2''' | 164 |
| 3''' | 110.4 |
| 4''' | 160 |
| 5''' | 93.9 |
| 6''' | 162.7 |
| glc-1b | 101.3 |
| glc-2b | 73.4 |
| glc-3b | 77.6 |
| glc-4b | 69.4 |
| glc-5b | 77.1 |
| glc-6b | 60.5 |
