Spektraris NMR
3,6-Dihydroxy-1,5,7-trimethoxyxanthone
Common Name: 3,6-Dihydroxy-1,5,7-trimethoxyxanthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H14O7/c1-20-9-4-7(17)5-10-12(9)13(18)8-6-11(21-2)14(19)16(22-3)15(8)23-10/h4-6,17,19H,1-3H3
InChIKey: InChIKey=QLHNHLVUYKOUKI-UHFFFAOYSA-N
Formula: C16H14O7
Molecular Weight: 318.278779
Exact Mass: 318.073953
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chung, M.I., Weng, J.R., Wang, J.P., Teng, C.M., Lin, C.N. Planta Med (2002) 68, 25-9
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) | 164.8 |
| 2 (CH) | 96 |
| 3 (C) | 163 |
| 4 (CH) | 96.6 |
| 4a (C) | 160.5 |
| 5 (C) | 142.2 |
| 6 (C) | 140.8 |
| 7 (C) | 150.6 |
| 8 (CH) | 97.1 |
| 8a (C) | 119.6 |
| 9 (C) | 174.5 |
| 9a (C) | 106.4 |
| 10a (C) | 141.6 |
| 1a (CH3) | 55.8 |
| 5a (CH3) | 56.1 |
| 7a (CH3) | 60.6 |
Copyright © 2025
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.