Spektraris NMR
Quercetin 3'-O-sulfate
Common Name: Quercetin 3'-O-sulfate
Synonyms: Quercetin 3'-O-sulfate
CAS Registry Number:
InChI: InChI=1S/C15H10O10S/c16-7-4-9(18)12-11(5-7)24-15(14(20)13(12)19)6-1-2-8(17)10(3-6)25-26(21,22)23/h1-5,16-18,20H,(H,21,22,23)
InChIKey: InChIKey=OSCLBBUATYLBQA-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. Phytochemistry (1987) 26, 1181-4
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) | 146.1 |
| 3 (C) | 135.9 |
| 4 (C) | 175.9 |
| 5 (C) | 160.7 |
| 6 (CH) | 98.2 |
| 7 (C) | 163.9 |
| 8 (CH) | 93.4 |
| 9 (C) | 156.1 |
| 10 (C) | 103.1 |
| 1' (C) | 122.6 |
| 2' (CH) | 122.2 |
| 3' (C) | 140.8 |
| 4' (C) | 151.2 |
| 5' (CH) | 117.2 |
| 6' (CH) | 124.9 |
