Spektraris NMR
1,7-Dimethoxy-2,3-methylenedioxy-9H-xanthene-9-one
Common Name: 1,7-Dimethoxy-2,3-methylenedioxy-9H-xanthene-9-one
Synonyms: 1,7-Dimethoxy-2,3-methylenedioxy-9H-xanthene-9-one
CAS Registry Number:
InChI: InChI=1S/C16H12O6/c1-18-8-3-4-10-9(5-8)14(17)13-11(22-10)6-12-15(16(13)19-2)21-7-20-12/h3-6H,7H2,1-2H3
InChIKey: InChIKey=UEZWFQTYRXZPPX-UHFFFAOYSA-N
Formula: C16H12O6
Molecular Weight: 300.263493
Exact Mass: 300.063388
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - de Oliveira, M.C., Silveira, E.R. Phytochemistry (2000) 55, 847-51
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) | 142.1 |
| 2 (C) | 134.2 |
| 3 (C) | 153.7 |
| 4 (CH) | 93.1 |
| 4a (C) | 154.9 |
| 5 (CH) | 118.5 |
| 6 (CH) | 123.7 |
| 7 (C) | 156.1 |
| 8 (CH) | 106.1 |
| 8a (C) | 122.7 |
| 9 (C) | 175.5 |
| 9a (C) | 110.3 |
| 10a (C) | 149.8 |
| 1a (CH3) | 56.3 |
| 2a (CH2) | 102.1 |
| 7a (CH3) | 61.1 |
