Spektraris NMR
1,5,6-Trihydroxyxanthone
Common Name: 1,5,6-Trihydroxyxanthone
Synonyms: 1,5,6-Trihydroxyxanthone
CAS Registry Number:
InChI: InChI=1S/C13H8O5/c14-7-2-1-3-9-10(7)11(16)6-4-5-8(15)12(17)13(6)18-9/h1-5,14-15,17H
InChIKey: InChIKey=QVQLOWQNIFSVLU-UHFFFAOYSA-N
Formula: C13H8O5
Molecular Weight: 244.200117
Exact Mass: 244.037173
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Wu, Q.L., Wang, S.P., Du, L.J., Yang, J.S., Xiao, P.G. Phytochemistry (1998) 49, 1395-402
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) | 161.4 |
| 2 (CH) | 109.7 |
| 3 (CH) | 136.5 |
| 4 (CH) | 106.4 |
| 4a (C) | 155.7 |
| 5 (C) | 132.5 |
| 6 (C) | 152.5 |
| 7 (CH) | 113.4 |
| 8 (CH) | 116.1 |
| 8a (C) | 113 |
| 9 (C) | 181.1 |
| 9a (C) | 107.5 |
| 10a (C) | 145.6 |
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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.