Spektraris NMR
4-(4-Methoxyphenyl)-5-hydroxy-7-methoxy-2H-1-benzopyran-2-one
Common Name: 4-(4-Methoxyphenyl)-5-hydroxy-7-methoxy-2H-1-benzopyran-2-one
Synonyms: 4-(4-Methoxyphenyl)-5-hydroxy-7-methoxy-2H-1-benzopyran-2-one
CAS Registry Number:
InChI: InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-16(19)22-15-8-12(21-2)7-14(18)17(13)15/h3-9,18H,1-2H3
InChIKey: InChIKey=NVAIGVSBIOLKIM-UHFFFAOYSA-N
Formula: C17H14O5
Molecular Weight: 298.290705
Exact Mass: 298.084124
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ito A., Chai H.B., Shin Y.G., Garcia R., Mejia M., Gao Q., Fairchild C.R., Lane K.E., Menendez A.T., Farnsworth N.R., Cordell G.A., Pezzuto J.M., Kinghorn A.D. Tetrahedron (2000) 56, 6401
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids; 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 (C) | 161.1 |
| 3 (CH) | 112.6 |
| 4 (C) | 157.3 |
| 5 (C) | 155.6 |
| 6 (CH) | 95.9 |
| 7 (C) | 163.3 |
| 8 (CH) | 96.6 |
| 9 (C) | 155.5 |
| 10 (C) | 103.7 |
| 1' (C) | 132.4 |
| 2' (CH) | 128.9 |
| 3' (CH) | 114.3 |
| 4' (C) | 158.3 |
| 5' (CH) | 114.3 |
| 6' (CH) | 128.9 |
| 7a (CH3) | 55.8 |
| 4'a (CH3) | 55.4 |
