Spektraris NMR
2-hydroxy-8-methoxy-6-methyl-9-oxo-xanthene-1-carboxylic Acid
Common Name: 2-hydroxy-8-methoxy-6-methyl-9-oxo-xanthene-1-carboxylic Acid
Synonyms: 2-hydroxy-8-methoxy-6-methyl-9-oxo-xanthene-1-carboxylic Acid
CAS Registry Number:
InChI: InChI=1S/C16H12O6/c1-7-5-10(21-2)13-11(6-7)22-9-4-3-8(17)12(16(19)20)14(9)15(13)18/h3-6,17H,1-2H3,(H,19,20)
InChIKey: InChIKey=BQOVQGSBHRLTFG-UHFFFAOYSA-N
Formula: C16H12O6
Molecular Weight: 300.263493
Exact Mass: 300.063388
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Healy, P.C., Hocking, A., Tran-Dinh, N., Pitt, J.I., Shivas, R.G., Mitchell, J.K., Kotiw, M., Davis, R.A. Phytochemistry (2004) 65, 2373-8
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) | 119.9 |
| 2 (C) | 150 |
| 3 (CH) | 123.2 |
| 4 (CH) | 118.4 |
| 4a (C) | 147.9 |
| 5 (CH) | 109.2 |
| 6 (C) | 146.5 |
| 7 (CH) | 107.1 |
| 8 (C) | 159.7 |
| 8a (C) | 109 |
| 9 (C) | 173.5 |
| 9a (C) | 119.6 |
| 10a (C) | 156.9 |
| 1' (C) | 167.8 |
| 1'' (CH3) | 21.8 |
| 1''' (CH3) | 56 |
