Spektraris NMR
Quercetin 3,4',7-trissulfate
Common Name: Quercetin 3,4',7-trissulfate
Synonyms: Quercetin 3,4',7-trissulfate
CAS Registry Number:
InChI: InChI=1S/C15H10O16S3/c16-8-3-6(1-2-10(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=OHGDJKUWKHBWFH-UHFFFAOYSA-N
Formula: C15H10O16S3
Molecular Weight: 542.429179
Exact Mass: 541.913096
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) | 155.6 |
| 3 (C) | 133.5 |
| 4 (C) | 178.2 |
| 5 (C) | 160.7 |
| 6 (CH) | 102.3 |
| 7 (C) | 159.6 |
| 8 (CH) | 97.6 |
| 9 (C) | 157.7 |
| 10 (C) | 106.7 |
| 1' (C) | 126.3 |
| 2' (CH) | 117.3 |
| 3' (C) | 148.4 |
| 4' (C) | 143.6 |
| 5' (CH) | 121.6 |
| 6' (CH) | 120.9 |
