Spektraris NMR
1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one
Common Name: 1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H20O5/c1-25-20-13-15(8-11-18(20)23)5-3-4-6-17(22)10-7-16-9-12-19(24)21(14-16)26-2/h3-14,23-24H,1-2H3/b5-3+,6-4+,10-7+
InChIKey: InChIKey=JUDCTVXWYFNGQQ-FQXJPFFWSA-N
Formula: C21H20O5
Molecular Weight: 352.381294
Exact Mass: 352.131074
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Park, S.Y., Kim, D.S. J Nat Prod (2002) 65, 1227-31
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylpropanoids; 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) | 128.1 |
| 2 (CH) | 111.6 |
| 3 (C) | 148.8 |
| 4 (C) | 150.2 |
| 5 (CH) | 116.2 |
| 6 (CH) | 124.1 |
| 7 (CH) | 143.3 |
| 8 (CH) | 123.9 |
| 9 (C) | 188.8 |
| 1' (C) | 129.6 |
| 2' (CH) | 111.7 |
| 3' (C) | 148.8 |
| 4' (C) | 149.1 |
| 5' (CH) | 116.1 |
| 6' (CH) | 122.6 |
| 7' (CH) | 142.3 |
| 8' (CH) | 125.6 |
| 9' (CH) | 143.8 |
| 10' (CH) | 129.1 |
| 3a (CH3) | 56.4 |
| 3'b (CH3) | 56.3 |
