Spektraris NMR
Quercetin 3-(3''-acetylrhamnoside)
Common Name: Quercetin 3-(3''-acetylrhamnoside)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H22O12/c1-8-17(29)21(33-9(2)24)19(31)23(32-8)35-22-18(30)16-14(28)6-11(25)7-15(16)34-20(22)10-3-4-12(26)13(27)5-10/h3-8,17,19,21,23,25-29,31H,1-2H3/t8-,17-,19+,21+,23-/m0/s1
InChIKey: InChIKey=WIEJIBAASUWBGY-WSOJGYHASA-N
Formula: C23H22O12
Molecular Weight: 490.414481
Exact Mass: 490.111126
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Fossen, T., Larsen, A., Kiremirec, B.T., Andersen, O.M. Phytochemistry (1999) 51, 1133-7
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) | 159.35 |
| 3 (C) | 135.56 |
| 4 (C) | 179.43 |
| 5 (C) | 163.24 |
| 6 (CH) | 99.84 |
| 7 (C) | 165.9 |
| 8 (CH) | 94.71 |
| 9 (C) | 158.52 |
| 10 (C) | 105.84 |
| 1' (C) | 123.12 |
| 2' (CH) | 116.84 |
| 3' (C) | 149.89 |
| 4' (C) | 146.66 |
| 5' (CH) | 116.47 |
| 6' (CH) | 122.81 |
| 1'' (CH) | 103.27 |
| 2'' (CH) | 69.71 |
| 3'' (CH) | 75.36 |
| 4'' (CH) | 73.27 |
| 5'' (CH) | 70.48 |
| 6'' (CH3) | 17.71 |
| 3''a (C) | 172.78 |
| 3''b (CH3) | 20.82 |
