Spektraris NMR
Quercetin 7-O-sulfate
Common Name: Quercetin 7-O-sulfate
Synonyms: Quercetin 7-O-sulfate
CAS Registry Number:
InChI: InChI=1S/C15H10O10S/c16-8-2-1-6(3-9(8)17)15-14(20)13(19)12-10(18)4-7(5-11(12)24-15)25-26(21,22)23/h1-5,16-18,20H,(H,21,22,23)
InChIKey: InChIKey=JBZKUBCDMZUWNG-UHFFFAOYSA-N
Formula: C15H10O10S1
Molecular Weight: 382.30058
Exact Mass: 381.999467
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Barron, D., Ibrahim, R.K. Tetrahedron (1987) 43, 5197-202
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) | 148.2 |
| 3 (C) | 136.9 |
| 4 (C) | 176.5 |
| 5 (C) | 160 |
| 6 (CH) | 101.4 |
| 7 (C) | 159 |
| 8 (CH) | 97.7 |
| 9 (C) | 155.2 |
| 10 (C) | 105.4 |
| 1' (C) | 121.3 |
| 2' (CH) | 114.9 |
| 3' (C) | 145.8 |
| 4' (C) | 149.5 |
| 5' (CH) | 116.1 |
| 6' (CH) | 120.5 |
