Spektraris NMR
Quercetin 3,3'-bissulfate
Common Name: Quercetin 3,3'-bissulfate
Synonyms: Quercetin 3,3'-bissulfate
CAS Registry Number:
InChI: InChI=1S/C15H10O13S2/c16-7-4-9(18)12-11(5-7)26-14(15(13(12)19)28-30(23,24)25)6-1-2-8(17)10(3-6)27-29(20,21)22/h1-5,16-18H,(H,20,21,22)(H,23,24,25)
InChIKey: InChIKey=CVENNDDRCHLONB-UHFFFAOYSA-N
Formula: C15H10O13S2
Molecular Weight: 462.364879
Exact Mass: 461.956282
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) | 155.7 |
| 3 (C) | 132.6 |
| 4 (C) | 177.6 |
| 5 (C) | 161.2 |
| 6 (CH) | 98.6 |
| 7 (C) | 164.3 |
| 8 (CH) | 93.5 |
| 9 (C) | 156.1 |
| 10 (C) | 104 |
| 1' (C) | 123.1 |
| 2' (CH) | 121.6 |
| 3' (C) | 140.5 |
| 4' (C) | 152 |
| 5' (CH) | 116.8 |
| 6' (CH) | 126.9 |
