Spektraris NMR
7-Hydroxy-3-(hydroxymethyl)-1-methoxy-9H-xanthen-9-one
Common Name: 7-Hydroxy-3-(hydroxymethyl)-1-methoxy-9H-xanthen-9-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H12O5/c1-19-12-4-8(7-16)5-13-14(12)15(18)10-6-9(17)2-3-11(10)20-13/h2-6,16-17H,7H2,1H3
InChIKey: InChIKey=ABASMEPIPZTIFP-UHFFFAOYSA-N
Formula: C15H12O5
Molecular Weight: 272.253352
Exact Mass: 272.068473
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Davis, R.A., Pierens, G.K. Magn Reson Chem (2006) 44, 966-8
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) | 159.8 |
| 2 (CH) | 103.4 |
| 3 (C) | 151.2 |
| 4 (CH) | 106.1 |
| 4a (C) | 157.4 |
| 5 (CH) | 118.3 |
| 6 (CH) | 123.1 |
| 7 (C) | 153.6 |
| 8 (CH) | 108.8 |
| 8a (C) | 122.8 |
| 9 (C) | 174.2 |
| 9a (C) | 109.8 |
| 10a (C) | 147.7 |
| 1a (CH3) | 55.8 |
| 3a (CH2) | 62.3 |
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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.