Spektraris NMR
1,4-Dimethoxy-2,3-(methylenebisoxy)-9H-xanthene-9-one
Common Name: 1,4-Dimethoxy-2,3-(methylenebisoxy)-9H-xanthene-9-one
Synonyms: 1,4-Dimethoxy-2,3-(methylenebisoxy)-9H-xanthene-9-one
CAS Registry Number:
InChI: InChI=1S/C16H12O6/c1-18-12-10-11(17)8-5-3-4-6-9(8)22-13(10)14(19-2)16-15(12)20-7-21-16/h3-6H,7H2,1-2H3
InChIKey: InChIKey=ITGKGKVNRUDSLG-UHFFFAOYSA-N
Formula: C16H12O6
Molecular Weight: 300.263493
Exact Mass: 300.063388
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) | 137.3 |
| 2 (C) | 135.5 |
| 3 (C) | 144 |
| 4 (C) | 128 |
| 4a (C) | 147.3 |
| 5 (CH) | 117.4 |
| 6 (CH) | 133.9 |
| 7 (CH) | 124.1 |
| 8 (CH) | 126.6 |
| 8a (C) | 122.3 |
| 9 (C) | 175.8 |
| 9a (C) | 111.4 |
| 10a (C) | 154.9 |
| 1' (CH3) | 61.4 |
| 1'' (CH3) | 61.3 |
| 1''' (CH2) | 102.5 |
