Spektraris NMR
2',4',5',6,7-Pentamethoxyisoflavone
Common Name: 2',4',5',6,7-Pentamethoxyisoflavone
Synonyms: 2',4',5',6,7-Pentamethoxyisoflavone
CAS Registry Number:
InChI: InChI=1S/C20H20O7/c1-22-14-8-18(25-4)16(23-2)6-11(14)13-10-27-15-9-19(26-5)17(24-3)7-12(15)20(13)21/h6-10H,1-5H3
InChIKey: InChIKey=ADVSBKKAOLGTQF-UHFFFAOYSA-N
Formula: C20H20O7
Molecular Weight: 372.369368
Exact Mass: 372.120903
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Veitch, N.C., Sutton, P.S., Kite, G.C., Ireland, H.E. J Nat Prod (2003) 66, 210-6
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) | 154.1 |
| 3 (C) | 121.3 |
| 4 (C) | 175.5 |
| 5 (CH) | 104.8 |
| 6 (C) | 147.7 |
| 7 (C) | 154.3 |
| 8 (CH) | 99.2 |
| 9 (C) | 152.4 |
| 10 (C) | 118 |
| 1' (C) | 112.6 |
| 2' (C) | 151.9 |
| 3' (CH) | 98.2 |
| 4' (C) | 149.9 |
| 5' (C) | 143.3 |
| 6' (CH) | 115.2 |
| 6a (CH3) | 56.1 |
| 7a (CH3) | 56.1 |
| 2'a (CH3) | 56.7 |
| 4'a (CH3) | 55.9 |
| 5'a (CH3) | 56.3 |
