Spektraris NMR
3-(3-Hydroxy-4,5-dimethoxyphenyl)-5-methoxy-7-hydroxy-4H-1-benzopyran-4-one
Common Name: 3-(3-Hydroxy-4,5-dimethoxyphenyl)-5-methoxy-7-hydroxy-4H-1-benzopyran-4-one
Synonyms: 3-(3-Hydroxy-4,5-dimethoxyphenyl)-5-methoxy-7-hydroxy-4H-1-benzopyran-4-one
CAS Registry Number:
InChI: InChI=1S/C18H16O7/c1-22-13-6-10(19)7-14-16(13)17(21)11(8-25-14)9-4-12(20)18(24-3)15(5-9)23-2/h4-8,19-20H,1-3H3
InChIKey: InChIKey=KNMQHZKIJQRCIJ-UHFFFAOYSA-N
Formula: C18H16O7
Molecular Weight: 344.316133
Exact Mass: 344.089603
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Fang, J.J., Ye, G., Chen, W.L., Zhao, W.M. Phytochemistry (2008) 69, 1279-86
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) | 151.3 |
| 3 (C) | 124.8 |
| 4 (C) | 173.7 |
| 5 (C) | 161.3 |
| 6 (CH) | 96.6 |
| 7 (C) | 162.4 |
| 8 (CH) | 94.8 |
| 9 (C) | 159.1 |
| 10 (C) | 107.9 |
| 1' (C) | 127.8 |
| 2' (CH) | 110.3 |
| 3' (C) | 150 |
| 4' (C) | 136 |
| 5' (C) | 152.8 |
| 6' (CH) | 104.7 |
| 5a (CH3) | 56 |
| 4'a (CH3) | 60 |
| 5'a (CH3) | 55.8 |
