Spektraris NMR
7,8,4'-Trihydroxyisoflavone
Common Name: 7,8,4'-Trihydroxyisoflavone
Synonyms: 7,8,4'-Trihydroxyisoflavone
CAS Registry Number:
InChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H
InChIKey: InChIKey=BMZFZTMWBCFKSS-UHFFFAOYSA-N
Formula: C15H10O5
Molecular Weight: 270.237471
Exact Mass: 270.052823
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) | 174.7 |
| 5 (CH) | 123.8 |
| 6 (CH) | 117.3 |
| 7 (C) | 155.3 |
| 8 (C) | 132.1 |
| 9 (C) | 150.8 |
| 10 (C) | 115.2 |
| 1' (C) | 125.2 |
| 2' (CH) | 130.1 |
| 3' (CH) | 113.6 |
| 4' (C) | 159.3 |
| 5' (CH) | 113.6 |
| 6' (CH) | 130.1 |
