Spektraris NMR
4',6,7-Trimethoxyisoflavone
Common Name: 4',6,7-Trimethoxyisoflavone
Synonyms: 4',6,7-Trimethoxyisoflavone
CAS Registry Number:
InChI: InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)14-10-23-15-9-17(22-3)16(21-2)8-13(15)18(14)19/h4-10H,1-3H3
InChIKey: InChIKey=YHXIOAVHEXKZCQ-UHFFFAOYSA-N
Formula: C18H16O5
Molecular Weight: 312.317323
Exact Mass: 312.099774
NMR Solvent: CDDl3 + DMSO-d6
MHz:
Calibration:
NMR references: 13C - Wenkert, E., Gottlieb, H.E. Phytochemistry (1977) 16, 1811-6
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) | 152.4 |
| 3 (C) | 123.5 |
| 4 (C) | 174.7 |
| 5 (CH) | 104.4 |
| 6 (C) | 147.6 |
| 7 (C) | 154.3 |
| 8 (CH) | 100 |
| 9 (C) | 152.1 |
| 10 (C) | 117.4 |
| 1' (C) | 124.4 |
| 2' (CH) | 130.1 |
| 3' (CH) | 113.6 |
| 4' (C) | 159.2 |
| 5' (CH) | 113.6 |
| 6' (CH) | 130.1 |
| 6a (CH3) | 55.1 |
| 7a (CH3) | 56.3 |
| 4'a (CH3) | 55.9 |
