Spektraris NMR
2H-1-Benzopyran-7-ol, 3-(2-hydroxy-4-methoxyphenyl)-
Common Name: 2H-1-Benzopyran-7-ol, 3-(2-hydroxy-4-methoxyphenyl)-
Synonyms: 2H-1-Benzopyran-7-ol, 3-(2-hydroxy-4-methoxyphenyl)-
CAS Registry Number:
InChI: InChI=1S/C16H14O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-8,17-18H,9H2,1H3
InChIKey: InChIKey=CXCORJXYCPSBSK-UHFFFAOYSA-N
Formula: C16H14O4
Molecular Weight: 270.280565
Exact Mass: 270.089209
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Erasto, P., Bojase-Moleta, G., Majinda, R.R. Phytochemistry (2004) 65, 875-80
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavenes; 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 (CH2) | 68.2 |
| 3 (C) | 128.7 |
| 4 (CH) | 120.9 |
| 5 (CH) | 127.9 |
| 6 (CH) | 108.8 |
| 7 (C) | 158.3 |
| 8 (CH) | 102.9 |
| 9 (C) | 156 |
| 10 (C) | 116.5 |
| 1' (C) | 118.8 |
| 2' (C) | 158.3 |
| 3' (CH) | 102.1 |
| 4' (C) | 160.7 |
| 5' (CH) | 129.4 |
| 6' (CH) | 105.7 |
| 4'a (CH3) | 54.9 |
