Spektraris NMR
1,2-Dihydroxy-9H-xanthene-9-one
Common Name: 1,2-Dihydroxy-9H-xanthene-9-one
Synonyms: 1,2-Dihydroxy-9H-xanthene-9-one
CAS Registry Number:
InChI: InChI=1S/C13H8O4/c14-8-5-6-10-11(13(8)16)12(15)7-3-1-2-4-9(7)17-10/h1-6,14,16H
InChIKey: InChIKey=XDBLKQQNHFWWHC-UHFFFAOYSA-N
Formula: C13H8O4
Molecular Weight: 228.200712
Exact Mass: 228.042259
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Saraiva, L., Fresco, P., Pinto, E., Sousa, E., Pinto, M., Goncalves, J. Bioorg Med Chem (2002) 10, 3219-27
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) | 147.6 |
| 2 (C) | 140.2 |
| 3 (CH) | 124.5 |
| 4 (CH) | 106.2 |
| 4a (C) | 148.3 |
| 5 (CH) | 118 |
| 6 (CH) | 136.4 |
| 7 (CH) | 124.2 |
| 8 (CH) | 125.4 |
| 8a (C) | 119.3 |
| 9 (C) | 182.3 |
| 9a (C) | 108.8 |
| 10a (C) | 155.9 |
