Spektraris NMR
1,7-Dihydroxy-4-methoxy-9H-xanthen-9-one
Common Name: 1,7-Dihydroxy-4-methoxy-9H-xanthen-9-one
Synonyms: 1,7-Dihydroxy-4-methoxy-9H-xanthen-9-one
CAS Registry Number:
InChI: InChI=1S/C14H10O5/c1-18-11-5-3-9(16)12-13(17)8-6-7(15)2-4-10(8)19-14(11)12/h2-6,15-16H,1H3
InChIKey: InChIKey=YDZGWMWSKOGVLG-UHFFFAOYSA-N
Formula: C14H10O5
Molecular Weight: 258.226735
Exact Mass: 258.052823
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Yang, X.D., Xu, L.Z., Yang, S.L. Phytochemistry (2001) 58, 1245-9
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) | 161 |
| 2 (CH) | 105.7 |
| 3 (CH) | 119.7 |
| 4 (C) | 141.8 |
| 4a (C) | 149.4 |
| 5 (CH) | 119.3 |
| 6 (CH) | 125.7 |
| 7 (C) | 153.8 |
| 8 (CH) | 107.6 |
| 8a (C) | 122 |
| 9 (C) | 182.2 |
| 9a (C) | 108.1 |
| 10a (C) | 149.6 |
| 1' (CH3) | 56.8 |
