Spektraris NMR
3',4'-Dimethoxy-6,7-methylenedioxyisoflavone
Common Name: 3',4'-Dimethoxy-6,7-methylenedioxyisoflavone
Synonyms: 3',4'-Dimethoxy-6,7-methylenedioxyisoflavone
CAS Registry Number:
InChI: InChI=1S/C18H14O6/c1-20-13-4-3-10(5-15(13)21-2)12-8-22-14-7-17-16(23-9-24-17)6-11(14)18(12)19/h3-8H,9H2,1-2H3
InChIKey: InChIKey=CDJXBUDOGYLTOL-UHFFFAOYSA-N
Formula: C18H14O6
Molecular Weight: 326.300846
Exact Mass: 326.079038
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) | 151.3 |
| 3 (C) | 124.5 |
| 4 (C) | 175.4 |
| 5 (CH) | 102.5 |
| 6 (C) | 146.3 |
| 7 (C) | 152.7 |
| 8 (CH) | 97.4 |
| 9 (C) | 153.6 |
| 10 (C) | 119.6 |
| 1' (C) | 124.6 |
| 2' (CH) | 112.4 |
| 3' (C) | 148.9 |
| 4' (C) | 149.2 |
| 5' (CH) | 111 |
| 6' (CH) | 120.8 |
| 6a (CH2) | 101.8 |
| 3'a (CH3) | 55.8 |
| 4'a (CH3) | 55.8 |
