Spektraris NMR
3,4-Methylenedioxy-2',4'-dimethoxychalcone
Common Name: 3,4-Methylenedioxy-2',4'-dimethoxychalcone
Synonyms: 3,4-Methylenedioxy-2',4'-dimethoxychalcone
CAS Registry Number:
InChI: InChI=1S/C18H16O5/c1-20-13-5-6-14(17(10-13)21-2)15(19)7-3-12-4-8-16-18(9-12)23-11-22-16/h3-10H,11H2,1-2H3/b7-3+
InChIKey: InChIKey=XMQLRMQKCIIQEY-XVNBXDOJSA-N
Formula: C18H16O5
Molecular Weight: 312.317323
Exact Mass: 312.099774
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sritularak B., Likhitwitayawuid K., Conrad J., Kraus W. Phytochemistry (2002) 61, 943-7
Species:
Notes: Family : Flavonoids, Type : Chalconoids; 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 |
|---|---|
| 1 (C) | 129.9 |
| 2 (CH) | 106.6 |
| 3 (C) | 148.2 |
| 4 (C) | 149.4 |
| 5 (CH) | 108.6 |
| 6 (CH) | 124.8 |
| α (CH) | 125.4 |
| β (CH) | 141.9 |
| 1' (C) | 122.4 |
| 2' (C) | 160.3 |
| 3' (CH) | 98.7 |
| 4' (C) | 164.1 |
| 5' (CH) | 105.1 |
| 6' (CH) | 132.8 |
| β' (C) | 190.4 |
| 3a (CH2) | 101.5 |
| 2'a (CH3) | 55.7 |
| 4'a (CH3) | 55.5 |
