Spektraris NMR
Quercetin 3-O-(2''-O-a-rhamnosyl-6''-O-malonyl)-b-glucoside
Common Name: Quercetin 3-O-(2''-O-a-rhamnosyl-6''-O-malonyl)-b-glucoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H32O19/c1-9-20(38)23(41)25(43)29(45-9)49-28-24(42)21(39)16(8-44-18(37)7-17(35)36)47-30(28)48-27-22(40)19-14(34)5-11(31)6-15(19)46-26(27)10-2-3-12(32)13(33)4-10/h2-6,9,16,20-21,23-25,28-34,38-39,41-43H,7-8H2,1H3,(H,35,36)/t9-,16-,20-,21-,23+,24+,25+,28-,29-,30+/m1/s1
InChIKey: InChIKey=NTHFGJOIFSTXSI-ADXAMWANSA-N
Formula: C30H32O19
Molecular Weight: 696.564875
Exact Mass: 696.153779
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Kazuma K., Noda N., Suzuki M. Phytochemistry (2003) 62, 229-37
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) | 155.42 |
| 3 (C) | 132.47 |
| 4 (C) | 177.7 |
| 5 (C) | 159.66 |
| 6 (CH) | 98.82 |
| 7 (C) | 163.56 |
| 8 (CH) | 93.73 |
| 9 (C) | 155.74 |
| 10 (C) | 104.24 |
| 1' (C) | 121.72 |
| 2' (CH) | 115.33 |
| 3' (C) | 145.27 |
| 4' (C) | 147.42 |
| 5' (CH) | 116.17 |
| 6' (CH) | 121.25 |
| 1'' (CH) | 98.61 |
| 2'' (CH) | 77.3 |
| 3'' (CH) | 77.07 |
| 4'' (CH) | 69.95 |
| 5'' (CH) | 73.89 |
| 6'' (CH2) | 63.48 |
| 1''' (CH) | 100.72 |
| 2''' (CH) | 70.71 |
| 3''' (CH) | 70.75 |
| 4''' (CH) | 71.99 |
| 5''' (CH) | 68.43 |
| 6''' (CH3) | 17.36 |
| 6''a (C) | 166.55 |
| 6''b (CH2) | 41.92 |
| 6''c (C) | 167.81 |
