Spektraris NMR
1,7,8-Trimethoxy-2,3-methylenedioxyxanthone
Common Name: 1,7,8-Trimethoxy-2,3-methylenedioxyxanthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H14O7/c1-19-9-5-4-8-12(15(9)20-2)14(18)13-10(24-8)6-11-16(17(13)21-3)23-7-22-11/h4-6H,7H2,1-3H3
InChIKey: InChIKey=SKKVGEYOXAYAOP-UHFFFAOYSA-N
Formula: C17H14O7
Molecular Weight: 330.289515
Exact Mass: 330.073953
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) | 142.2 |
| 2 (C) | 133.8 |
| 3 (C) | 153.3 |
| 4 (CH) | 92.3 |
| 4a (C) | 153.9 |
| 5 (CH) | 112.1 |
| 6 (CH) | 119 |
| 7 (C) | 149 |
| 8 (C) | 148.5 |
| 8a (C) | 117.8 |
| 9 (C) | 175.4 |
| 9a (C) | 111 |
| 10a (C) | 150.2 |
| 1' (CH3) | 61.7 |
| 1a (CH3) | 57.1 |
| 2a (CH2) | 101.9 |
| 7a (CH3) | 60.9 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.