Spektraris NMR
2,3-Dimethoxy-4,8-dihydroxy-9H-xanthen-9-one
Common Name: 2,3-Dimethoxy-4,8-dihydroxy-9H-xanthen-9-one
Synonyms: 2,3-Dimethoxy-4,8-dihydroxy-9H-xanthen-9-one
CAS Registry Number:
InChI: InChI=1S/C15H12O6/c1-19-10-6-7-12(17)11-8(16)4-3-5-9(11)21-14(7)13(18)15(10)20-2/h3-6,16,18H,1-2H3
InChIKey: InChIKey=HJFHTGGYJGLTDE-UHFFFAOYSA-N
Formula: C15H12O6
Molecular Weight: 288.252757
Exact Mass: 288.063388
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka, N., Takaishi, Y. Phytochemistry (2006) 67, 2146-51
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) | 161.7 |
| 2 (CH) | 110.3 |
| 3 (CH) | 136.3 |
| 4 (CH) | 107.1 |
| 4a (C) | 156.1 |
| 5 (C) | 137.8 |
| 6 (C) | 141.6 |
| 7 (C) | 149.4 |
| 8 (CH) | 96.8 |
| 8a (C) | 116.6 |
| 9 (C) | 181.4 |
| 9a (C) | 108.5 |
| 10a (C) | 140.9 |
| 6a (CH3) | 61.4 |
| 7a (CH3) | 56.1 |
