Spektraris NMR
5,3'-dimethoxy-6,7:4',5'-bis(methylenedioxy)isoflavone
Common Name: 5,3'-dimethoxy-6,7:4',5'-bis(methylenedioxy)isoflavone
Synonyms: 5,3'-dimethoxy-6,7:4',5'-bis(methylenedioxy)isoflavone
CAS Registry Number:
InChI: InChI=1S/C19H14O8/c1-21-12-3-9(4-13-17(12)26-7-24-13)10-6-23-11-5-14-18(27-8-25-14)19(22-2)15(11)16(10)20/h3-6H,7-8H2,1-2H3
InChIKey: InChIKey=KLAFIRXMCSKIEC-UHFFFAOYSA-N
Formula: C19H14O8
Molecular Weight: 370.310392
Exact Mass: 370.068867
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) | 150.6 |
| 3 (C) | 125.5 |
| 4 (C) | 175.2 |
| 5 (C) | 141.8 |
| 6 (C) | 135.6 |
| 7 (C) | 152.9 |
| 8 (CH) | 93.2 |
| 9 (C) | 154.7 |
| 10 (C) | 113.9 |
| 1' (C) | 126.1 |
| 2' (CH) | 109.3 |
| 3' (C) | 143.5 |
| 4' (C) | 135.4 |
| 5' (C) | 148.8 |
| 6' (CH) | 103.6 |
| 5a (CH3) | 61.3 |
| 6a (CH2) | 102.2 |
| 3'a (CH3) | 56.8 |
| 4'a (CH2) | 101.3 |
