Spektraris NMR
9H-Xanthen-9-one, 1,3-dihydroxy-2-methoxy-
Common Name: 9H-Xanthen-9-one, 1,3-dihydroxy-2-methoxy-
Synonyms: 9H-Xanthen-9-one, 1,3-dihydroxy-2-methoxy-
CAS Registry Number:
InChI: InChI=1S/C14H10O5/c1-18-14-8(15)6-10-11(13(14)17)12(16)7-4-2-3-5-9(7)19-10/h2-6,15,17H,1H3
InChIKey: InChIKey=PVNLFOMDIZUYGA-UHFFFAOYSA-N
Formula: C14H10O5
Molecular Weight: 258.226735
Exact Mass: 258.052823
NMR Solvent: CDCl3
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) | 153.2 |
| 2 (C) | 129.5 |
| 3 (C) | 156.3 |
| 4 (CH) | 93.3 |
| 4a (C) | 153.3 |
| 5 (CH) | 117.5 |
| 6 (CH) | 134.9 |
| 7 (CH) | 123.9 |
| 8 (CH) | 125.6 |
| 8a (C) | 120 |
| 9 (C) | 181.3 |
| 9a (C) | 103.9 |
| 10a (C) | 156 |
| 2a (CH3) | 60.8 |
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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.