P-phloridzin-(I-5, II-3')-phloretin-4-O-glucoside

P-phloridzin-(I-5, II-3')-phloretin-4-O-glucoside

Common Name: P-phloridzin-(I-5, II-3')-phloretin-4-O-glucoside

Synonyms: 1-​Propanone, 1-​[2-​(β-​D-​glucopyranosyloxy)​-​4,​6-​dihydroxyphenyl]​-​3-​[(1R)​-​6'-​(β-​D-​glucopyranosyloxy)​-​2',​4',​5,​6-​tetrahydroxy-​3'-​[3-​(4-​hydroxyphenyl)​-​1-​oxopropyl]​[1,​1'-​biphenyl]​-​3-​yl]​-

CAS Registry Number: 1422358-23-3

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 of 523: *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 4.92 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