Spektraris NMR
5-Hydroxy-7,4'-bis(sulfooxy)flavone
Common Name: 5-Hydroxy-7,4'-bis(sulfooxy)flavone
Synonyms: 5-Hydroxy-7,4'-bis(sulfooxy)flavone
CAS Registry Number:
InChI: InChI=1S/C15H10O11S2/c16-11-5-10(26-28(21,22)23)6-14-15(11)12(17)7-13(24-14)8-1-3-9(4-2-8)25-27(18,19)20/h1-7,16H,(H,18,19,20)(H,21,22,23)
InChIKey: InChIKey=ZQJPMLYBEBDCAH-UHFFFAOYSA-N
Formula: C15H10O11S2
Molecular Weight: 430.36607
Exact Mass: 429.966453
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) | 164.6 |
| 3 (CH) | 103.2 |
| 4 (C) | 182.8 |
| 5 (C) | 161.3 |
| 6 (CH) | 105.1 |
| 7 (C) | 160 |
| 8 (CH) | 99 |
| 9 (C) | 160 |
| 10 (C) | 106.8 |
| 1' (C) | 125.3 |
| 2' (CH) | 129.5 |
| 3' (CH) | 121.1 |
| 4' (C) | 157 |
| 5' (CH) | 121.1 |
| 6' (CH) | 129.5 |
