Spektraris NMR
7,8-Dihydroxy-4'-methoxyisoflavone
Common Name: 7,8-Dihydroxy-4'-methoxyisoflavone
Synonyms: 7,8-Dihydroxy-4'-methoxyisoflavone
CAS Registry Number:
InChI: InChI=1S/C16H12O5/c1-20-10-4-2-9(3-5-10)12-8-21-16-11(14(12)18)6-7-13(17)15(16)19/h2-8,17,19H,1H3
InChIKey: InChIKey=DLXIJJURUIXRFK-UHFFFAOYSA-N
Formula: C16H12O5
Molecular Weight: 284.264088
Exact Mass: 284.068473
NMR Solvent: CDDl3 + DMSO-d6
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) | 152.7 |
| 3 (C) | 124.9 |
| 4 (C) | 174.5 |
| 5 (CH) | 123.8 |
| 6 (CH) | 117.5 |
| 7 (C) | 155.2 |
| 8 (C) | 134.8 |
| 9 (C) | 150.8 |
| 10 (C) | 115.2 |
| 1' (C) | 126.1 |
| 2' (CH) | 130.1 |
| 3' (CH) | 113.6 |
| 4' (C) | 159.3 |
| 5' (CH) | 113.6 |
| 6' (CH) | 130.1 |
| 4'a (CH3) | 55.1 |
