Spektraris NMR
4',5,7-Trimethoxyisoflavone
Common Name: 4',5,7-Trimethoxyisoflavone
Synonyms: 4',5,7-Trimethoxyisoflavone
CAS Registry Number:
InChI: InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)14-10-23-16-9-13(21-2)8-15(22-3)17(16)18(14)19/h4-10H,1-3H3
InChIKey: InChIKey=PVVORTURQPBPEQ-UHFFFAOYSA-N
Formula: C18H16O5
Molecular Weight: 312.317323
Exact Mass: 312.099774
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jha, B.C., Zilliken, F., Breitmaier, B. Can J Chem (1980) 58, 1211
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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 (CH) | 152.5 |
| 3 (C) | 123.2 |
| 4 (C) | 180.6 |
| 5 (C) | 162.5 |
| 6 (CH) | 100.5 |
| 7 (C) | 165.4 |
| 8 (CH) | 92.2 |
| 9 (C) | 157.7 |
| 10 (C) | 106.1 |
| 1' (C) | 123.4 |
| 2' (CH) | 129.9 |
| 3' (CH) | 113.9 |
| 4' (C) | 159.6 |
| 5' (CH) | 113.9 |
| 6' (CH) | 129.9 |
| 5a (CH3) | 55.1 |
| 7a (CH3) | 55.8 |
| 4'a (CH3) | 55.6 |
