Spektraris NMR
4',5,7-Trimethoxyflavone
Common Name: 4',5,7-Trimethoxyflavone
Synonyms: 4',5,7-Trimethoxyflavone
CAS Registry Number:
InChI: InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-10H,1-3H3
InChIKey: InChIKey=ZXJJBDHPUHUUHD-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) | 160.1 |
| 3 (CH) | 106.4 |
| 4 (C) | 175.4 |
| 5 (C) | 158.8 |
| 6 (CH) | 115.9 |
| 7 (C) | 163.4 |
| 8 (CH) | 93.2 |
| 9 (C) | 159.7 |
| 10 (C) | 108.1 |
| 1' (C) | 122.8 |
| 2' (CH) | 127.2 |
| 3' (CH) | 114.2 |
| 4' (C) | 161.5 |
| 5' (CH) | 114.2 |
| 6' (CH) | 127.2 |
| 5a (CH3) | 55.1 |
| 7a (CH3) | 55.5 |
| 4'a (CH3) | 55.8 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.