Spektraris NMR
Quercetin 3-O-b-D-glucosyl(1?2)-b-D-galactoside7-O-b-D-glucoside
Common Name: Quercetin 3-O-b-D-glucosyl(1?2)-b-D-galactoside7-O-b-D-glucoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H30O17/c28-6-14-17(34)20(37)21(38)26(41-14)43-24-18(35)15(7-29)42-27(22(24)39)44-25-19(36)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,24,26-35,37-39H,6-7H2/t14-,15-,17+,18-,20+,21-,22-,24+,26+,27+/m1/s1
InChIKey: InChIKey=RAMYMBNTEMMDSX-LYTFEQDJSA-N
Formula: C27H30O17
Molecular Weight: 626.517976
Exact Mass: 626.1483
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Han, Y., Nishibe, S., Noguchi, Y., Jin, Z. Phytochemistry (2001) 58, 577-80
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (C) | 156.4 |
| 3 (C) | 133.4 |
| 4 (C) | 177.7 |
| 5 (C) | 160.9 |
| 6 (CH) | 99.3 |
| 7 (C) | 162.8 |
| 8 (CH) | 94.4 |
| 9 (C) | 155.9 |
| 10 (C) | 105.6 |
| 1' (C) | 122.3 |
| 2' (CH) | 115.4 |
| 3' (C) | 144.9 |
| 4' (C) | 148.8 |
| 5' (CH) | 116.3 |
| 6' (CH) | 121 |
| 1'' (CH) | 98.3 |
| 2'' (CH) | 80.9 |
| 3'' (CH) | 73.4 |
| 4'' (CH) | 67.7 |
| 5'' (CH) | 75.9 |
| 6'' (CH2) | 60 |
| 1''' (CH) | 104.5 |
| 2''' (CH) | 74.5 |
| 3''' (CH) | 76.4 |
| 4''' (CH) | 69.6 |
| 5''' (CH) | 76.8 |
| 6''' (CH2) | 60.7 |
| 1'''' (CH) | 99.8 |
| 2'''' (CH) | 73.2 |
| 3'''' (CH) | 76.6 |
| 4'''' (CH) | 69.6 |
| 5'''' (CH) | 77.2 |
| 6'''' (CH2) | 60.7 |
