Spektraris NMR
2-(3,4,5-Trimethoxyphenyl)-4H-chromen-4-one
Common Name: 2-(3,4,5-Trimethoxyphenyl)-4H-chromen-4-one
Synonyms: 2-(3,4,5-Trimethoxyphenyl)-4H-chromen-4-one
CAS Registry Number:
InChI: InChI=1S/C18H16O5/c1-20-16-8-11(9-17(21-2)18(16)22-3)15-10-13(19)12-6-4-5-7-14(12)23-15/h4-10H,1-3H3
InChIKey: InChIKey=QCXAJQVDUHKDEL-UHFFFAOYSA-N
Formula: C18H16O5
Molecular Weight: 312.317323
Exact Mass: 312.099774
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - M. Iinuma, S. Matsuura, K. Kusuda Chem Pharm Bull (1980) 28, 708
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) | 162.4 |
| 3 (CH) | 106.9 |
| 4 (C) | 177.1 |
| 5 (CH) | 125.5 |
| 6 (CH) | 124.8 |
| 7 (CH) | 134.2 |
| 8 (CH) | 118.7 |
| 9 (C) | 155.7 |
| 10 (C) | 123.3 |
| 1' (C) | 126.5 |
| 2' (CH) | 104.2 |
| 3' (C) | 153.3 |
| 4' (C) | 140.8 |
| 5' (C) | 153.3 |
| 6' (CH) | 104.2 |
| 3'a (CH3) | 59.4 |
| 4'a (CH3) | 56.1 |
| 5'a (CH3) | 59.4 |
