Spektraris NMR
1,3,5-Trihydroxy-6,7-dimethoxyxanthone
Common Name: 1,3,5-Trihydroxy-6,7-dimethoxyxanthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H12O7/c1-20-10-5-7-12(18)11-8(17)3-6(16)4-9(11)22-14(7)13(19)15(10)21-2/h3-5,16-17,19H,1-2H3
InChIKey: InChIKey=XSTWGUHABMMDCN-UHFFFAOYSA-N
Formula: C15H12O7
Molecular Weight: 304.252162
Exact Mass: 304.058303
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Tanaka, N., Takaishi, Y. Phytochemistry (2006) 67, 2146-51
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) | 164.3 |
| 2 (CH) | 99.1 |
| 3 (C) | 167 |
| 4 (CH) | 94.7 |
| 4a (C) | 158.7 |
| 5 (C) | 141.2 |
| 6 (C) | 143.4 |
| 7 (C) | 150.9 |
| 8 (CH) | 96 |
| 8a (C) | 116.7 |
| 9 (C) | 180.6 |
| 9a (C) | 103.2 |
| 10a (C) | 142.9 |
| 6a (CH3) | 60.7 |
| 7a (CH3) | 55.9 |
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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.