Spektraris NMR
5,2'-dimethoxy-6,7:4',5'-bis(methylenedioxy)isoflavone
Common Name: 5,2'-dimethoxy-6,7:4',5'-bis(methylenedioxy)isoflavone
Synonyms: 5,2'-dimethoxy-6,7:4',5'-bis(methylenedioxy)isoflavone
CAS Registry Number:
InChI: InChI=1S/C19H14O8/c1-21-11-4-13-12(24-7-25-13)3-9(11)10-6-23-14-5-15-18(27-8-26-15)19(22-2)16(14)17(10)20/h3-6H,7-8H2,1-2H3
InChIKey: InChIKey=JGXCSCYXDURJRF-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) | 152.3 |
| 3 (C) | 122.4 |
| 4 (C) | 175.2 |
| 5 (C) | 141.7 |
| 6 (C) | 135.7 |
| 7 (C) | 152.7 |
| 8 (CH) | 93.4 |
| 9 (C) | 154.8 |
| 10 (C) | 114.1 |
| 1' (C) | 112.8 |
| 2' (C) | 153 |
| 3' (CH) | 95.4 |
| 4' (C) | 148.3 |
| 5' (C) | 141.2 |
| 6' (CH) | 111.5 |
| 5a (CH3) | 61.3 |
| 6a (CH2) | 102.1 |
| 2'a (CH3) | 56.9 |
| 4'a (CH2) | 101.3 |
