Spektraris NMR
Quercetin 3,3'-dimethyl ether
Common Name: Quercetin 3,3'-dimethyl ether
Synonyms: Quercetin 3,3'-dimethyl ether
CAS Registry Number:
InChI: InChI=1S/C17H14O7/c1-22-12-5-8(3-4-10(12)19)16-17(23-2)15(21)14-11(20)6-9(18)7-13(14)24-16/h3-7,18-20H,1-2H3
InChIKey: InChIKey=FMEHGPQTMOPUGM-UHFFFAOYSA-N
Formula: C17H14O7
Molecular Weight: 330.289515
Exact Mass: 330.073953
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Chiappini, I., Fardella, G., Menghini, A., Rossi, C. Planta Med (1982) 44, 159-61
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) | 155.4 |
| 3 (C) | 137.7 |
| 4 (C) | 177.9 |
| 5 (C) | 161.3 |
| 6 (CH) | 98.5 |
| 7 (C) | 164.1 |
| 8 (CH) | 93.8 |
| 9 (C) | 156.3 |
| 10 (C) | 104.2 |
| 1' (C) | 122.2 |
| 2' (CH) | 112 |
| 3' (C) | 147.4 |
| 4' (C) | 149.7 |
| 5' (CH) | 115.6 |
| 6' (CH) | 120.9 |
| 3a (CH3) | 59.6 |
| 3'a (CH3) | 55.7 |
