Spektraris NMR
5-Methoxy-6,7;3',4'-bis(methylenedioxy)isoflavone
Common Name: 5-Methoxy-6,7;3',4'-bis(methylenedioxy)isoflavone
Synonyms: 5-Methoxy-6,7;3',4'-bis(methylenedioxy)isoflavone
CAS Registry Number:
InChI: InChI=1S/C18H12O7/c1-20-18-15-13(5-14-17(18)25-8-24-14)21-6-10(16(15)19)9-2-3-11-12(4-9)23-7-22-11/h2-6H,7-8H2,1H3
InChIKey: InChIKey=VLDDRJPEYZHZQG-UHFFFAOYSA-N
Formula: C18H12O7
Molecular Weight: 340.28437
Exact Mass: 340.058303
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) | 150.4 |
| 3 (C) | 125.5 |
| 4 (C) | 175.3 |
| 5 (C) | 141.8 |
| 6 (C) | 135.7 |
| 7 (C) | 152.9 |
| 8 (CH) | 93.3 |
| 9 (C) | 154.7 |
| 10 (C) | 113.9 |
| 1' (C) | 125.7 |
| 2' (CH) | 110.1 |
| 3' (C) | 147.6 |
| 4' (C) | 147.6 |
| 5' (CH) | 108.3 |
| 6' (CH) | 122.6 |
| 5a (CH3) | 61.3 |
| 6a (CH2) | 102.2 |
| 3'a (CH2) | 101.1 |
