Spektraris NMR
1,6,7-Trimethoxy-2-hydroxy-9H-xanthene-9-one
Common Name: 1,6,7-Trimethoxy-2-hydroxy-9H-xanthene-9-one
Synonyms: 1,6,7-Trimethoxy-2-hydroxy-9H-xanthene-9-one
CAS Registry Number:
InChI: InChI=1S/C16H14O6/c1-19-12-6-8-11(7-13(12)20-2)22-10-5-4-9(17)16(21-3)14(10)15(8)18/h4-7,17H,1-3H3
InChIKey: InChIKey=BROXNHWVEWPLHG-UHFFFAOYSA-N
Formula: C16H14O6
Molecular Weight: 302.279374
Exact Mass: 302.079038
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lin, L.L., Huang, F., Chen, S.B., Yang, D.J., Chen, S.L., Yang, J.S., Xiao, P.G. Planta Med (2005) 71, 372-5
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) | 145.3 |
| 2 (C) | 144.3 |
| 3 (CH) | 121.5 |
| 4 (CH) | 114 |
| 4a (C) | 151.1 |
| 5 (CH) | 99.2 |
| 6 (C) | 155.4 |
| 7 (C) | 146.8 |
| 8 (CH) | 105.3 |
| 8a (C) | 115.2 |
| 9 (C) | 175.2 |
| 9a (C) | 115.7 |
| 10a (C) | 151.8 |
| 1a (CH3) | 62.7 |
| 6a (CH3) | 56.5 |
| 7a (CH3) | 56.3 |
