Spektraris NMR
2,5-Dihydroxy-8-methoxy-6-methyl-9-oxo-9H-xanthene-1-carboxylic acid
Common Name: 2,5-Dihydroxy-8-methoxy-6-methyl-9-oxo-9H-xanthene-1-carboxylic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H12O7/c1-6-5-9(22-2)12-14(19)11-8(23-15(12)13(6)18)4-3-7(17)10(11)16(20)21/h3-5,17-18H,1-2H3,(H,20,21)
InChIKey: InChIKey=WNNZOICLHAOLHA-UHFFFAOYSA-N
Formula: C16H12O7
Molecular Weight: 316.262898
Exact Mass: 316.058303
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Davis, R.A., Pierens, G.K. Magn Reson Chem (2006) 44, 966-8
Species:
Notes: Family : Aromatics, Type : Xanthones; 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) | 120 |
| 2 (C) | 156.6 |
| 3 (CH) | 121.8 |
| 4 (CH) | 117.7 |
| 4a (C) | 146.7 |
| 5 (C) | 136.2 |
| 6 (C) | 129 |
| 7 (CH) | 107.5 |
| 8 (C) | 150.2 |
| 8a (C) | 112.6 |
| 9 (C) | 175.2 |
| 9a (C) | 122.4 |
| 10a (C) | 145.1 |
| 1' (CH3) | 56 |
| 1a (C) | 167.9 |
| 6a (CH3) | 16.3 |
