Spektraris NMR
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7,8-tetramethoxy-4H-chromen-4-one
Common Name: 5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7,8-tetramethoxy-4H-chromen-4-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O9/c1-24-11-8-9(6-7-10(11)21)15-17(25-2)13(22)12-14(23)18(26-3)20(28-5)19(27-4)16(12)29-15/h6-8,21,23H,1-5H3
InChIKey: InChIKey=HCAGTMLWEWVIJA-UHFFFAOYSA-N
Formula: C20H20O9
Molecular Weight: 404.368177
Exact Mass: 404.110732
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Roitman, J.N., James, L.F. Phytochemistry (1985) 24, 835-48
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) | 155.9 |
| 3 (C) | 137.7 |
| 4 (C) | 178.5 |
| 5 (C) | 148.1 |
| 6 (C) | 133.6 |
| 7 (C) | 152.3 |
| 8 (C) | 132.4 |
| 9 (C) | 144.3 |
| 10 (C) | 106.7 |
| 1' (C) | 120.6 |
| 2' (CH) | 111.7 |
| 3' (C) | 147.5 |
| 4' (C) | 150.1 |
| 5' (CH) | 115.8 |
| 6' (CH) | 122.3 |
| 3a (CH3) | 60.5 |
| 6a (CH3) | 59.6 |
| 7a (CH3) | 61.4 |
| 8a (CH3) | 61.8 |
| 3'a (CH3) | 55.5 |
