Spektraris NMR
1,2-Dimethoxy-3,6-dihydroxy-9H-xanthene-9-one
Common Name: 1,2-Dimethoxy-3,6-dihydroxy-9H-xanthene-9-one
Synonyms: 1,2-Dimethoxy-3,6-dihydroxy-9H-xanthene-9-one
CAS Registry Number:
InChI: InChI=1S/C15H12O6/c1-19-14-9(17)6-11-12(15(14)20-2)13(18)8-4-3-7(16)5-10(8)21-11/h3-6,16-17H,1-2H3
InChIKey: InChIKey=KREQTBSQJOEUKA-UHFFFAOYSA-N
Formula: C15H12O6
Molecular Weight: 288.252757
Exact Mass: 288.063388
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Tanaka, N., Takaishi, Y. Chem Pharm Bull (2007) 55, 19-21
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) | 154.6 |
| 2 (C) | 139.7 |
| 3 (C) | 158.3 |
| 4 (CH) | 100.6 |
| 4a (C) | 155.2 |
| 5 (CH) | 102.5 |
| 6 (C) | 164.5 |
| 7 (CH) | 114.3 |
| 8 (CH) | 128.8 |
| 8a (C) | 116 |
| 9 (C) | 174.4 |
| 9a (C) | 110.4 |
| 10a (C) | 157.7 |
| 1a (CH3) | 62.2 |
| 2a (CH3) | 61.3 |
