Spektraris NMR
Quercetin 3,7,3'-tri-O-sulfate
Common Name: Quercetin 3,7,3'-tri-O-sulfate
Synonyms: Quercetin 3,7,3'-tri-O-sulfate
CAS Registry Number:
InChI: InChI=1S/C15H10O16S3/c16-8-2-1-6(3-10(8)30-33(22,23)24)14-15(31-34(25,26)27)13(18)12-9(17)4-7(5-11(12)28-14)29-32(19,20)21/h1-5,16-17H,(H,19,20,21)(H,22,23,24)(H,25,26,27)
InChIKey: InChIKey=WWSKELVNYRIPTL-UHFFFAOYSA-N
Formula: C15H10O16S3
Molecular Weight: 542.429179
Exact Mass: 541.913096
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Cabrera, J.L., Juliani, H.R., Gros, E.G. Phytochemistry (1985) 24, 1394-5
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) | 154.9 |
| 3 (C) | 132.5 |
| 4 (C) | 177.6 |
| 5 (C) | 159 |
| 6 (CH) | 102.2 |
| 7 (C) | 159.9 |
| 8 (CH) | 97.5 |
| 9 (C) | 156.5 |
| 10 (C) | 106 |
| 1' (C) | 123 |
| 2' (CH) | 120.8 |
| 3' (C) | 140.1 |
| 4' (C) | 152.2 |
| 5' (CH) | 116.6 |
| 6' (CH) | 126.8 |
