Spektraris NMR
7-Hydroxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one
Common Name: 7-Hydroxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one
Synonyms: 7-Hydroxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one
CAS Registry Number:
InChI: InChI=1S/C18H16O6/c1-21-16-6-10(7-17(22-2)18(16)23-3)14-9-13(20)12-5-4-11(19)8-15(12)24-14/h4-9,19H,1-3H3
InChIKey: InChIKey=MDEDRFPEUVNRFK-UHFFFAOYSA-N
Formula: C18H16O6
Molecular Weight: 328.316728
Exact Mass: 328.094688
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - E.M. Gaydou, J.P. Bianchini Bull Soc Chem (France) Part II (1978) 0, 43
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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) | 161.8 |
| 3 (CH) | 106.6 |
| 4 (C) | 176.5 |
| 5 (CH) | 126.7 |
| 6 (CH) | 115 |
| 7 (C) | 162.7 |
| 8 (CH) | 103.8 |
| 9 (C) | 157.5 |
| 10 (C) | 116.2 |
| 1' (C) | 126.5 |
| 2' (CH) | 104 |
| 3' (C) | 153.3 |
| 4' (C) | 140.5 |
| 5' (C) | 153.3 |
| 6' (CH) | 104 |
| 3'a (CH3) | 60.2 |
| 4'a (CH3) | 56.1 |
| 5'a (CH3) | 60.2 |
