Spektraris NMR
Quercetin 3-O-sulfate
Common Name: Quercetin 3-O-sulfate
Synonyms: Quercetin 3-O-sulfate
CAS Registry Number:
InChI: InChI=1S/C15H10O10S/c16-7-4-10(19)12-11(5-7)24-14(6-1-2-8(17)9(18)3-6)15(13(12)20)25-26(21,22)23/h1-5,16-19H,(H,21,22,23)
InChIKey: InChIKey=DNAYVNOVGHZZLH-UHFFFAOYSA-N
Formula: C15H10O10S1
Molecular Weight: 382.30058
Exact Mass: 381.999467
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Barron, D., Colebrook, L.D., Ibrahim, R.K. Phytochemistry (1986) 25, 1719-21
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) | 156.6 |
| 3 (C) | 132.3 |
| 4 (C) | 177.7 |
| 5 (C) | 161.3 |
| 6 (CH) | 98.4 |
| 7 (C) | 163.9 |
| 8 (CH) | 93.3 |
| 9 (C) | 156.1 |
| 10 (C) | 104.1 |
| 1' (C) | 121.6 |
| 2' (CH) | 115.1 |
| 3' (C) | 144.7 |
| 4' (C) | 148.3 |
| 5' (CH) | 115.9 |
| 6' (CH) | 121.6 |
