Spektraris NMR
4',5,6-Trihydroxy-7-methoxyisoflavone
Common Name: 4',5,6-Trihydroxy-7-methoxyisoflavone
Synonyms: 4',5,6-Trihydroxy-7-methoxyisoflavone
CAS Registry Number:
InChI: InChI=1S/C16H12O6/c1-21-12-6-11-13(16(20)15(12)19)14(18)10(7-22-11)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
InChIKey: InChIKey=PVUYNAPZRICYPA-UHFFFAOYSA-N
Formula: C16H12O6
Molecular Weight: 300.263493
Exact Mass: 300.063388
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Konno, C., Oshima, Y., Hikino, H. Planta Med (1977) 32, 118-24
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) | 153.8 |
| 3 (C) | 121.3 |
| 4 (C) | 180.5 |
| 5 (C) | 152.7 |
| 6 (C) | 131.3 |
| 7 (C) | 157.4 |
| 8 (CH) | 93.8 |
| 9 (C) | 153.2 |
| 10 (C) | 104.9 |
| 1' (C) | 121.8 |
| 2' (CH) | 130.1 |
| 3' (CH) | 115.1 |
| 4' (C) | 157.4 |
| 5' (CH) | 115.1 |
| 6' (CH) | 130.1 |
| 7a (CH3) | 59.9 |
