Spektraris NMR
3,5-dihydroxy-4-methoxyxanthen-9-one
Common Name: 3,5-dihydroxy-4-methoxyxanthen-9-one
Synonyms: 3,5-dihydroxy-4-methoxyxanthen-9-one
CAS Registry Number:
InChI: InChI=1S/C14H10O5/c1-18-14-10(16)6-5-8-11(17)7-3-2-4-9(15)12(7)19-13(8)14/h2-6,15-16H,1H3
InChIKey: InChIKey=JNQLXRMQDHWYIN-UHFFFAOYSA-N
Formula: C14H10O5
Molecular Weight: 258.226735
Exact Mass: 258.052823
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Zhang, Z., ElSohly, H.N., Jacob, M.R., Pasco, D.S., Walker, L.A., Clark, A.M. Planta Med (2002) 68, 49-54
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 (CH) | 124.9 |
| 2 (CH) | 113.7 |
| 3 (C) | 145.1 |
| 4 (C) | 146.7 |
| 4a (C) | 149.5 |
| 5 (C) | 147.3 |
| 6 (CH) | 119.4 |
| 7 (CH) | 123.5 |
| 8 (CH) | 114.3 |
| 8a (C) | 122.6 |
| 9 (C) | 175.6 |
| 9a (C) | 116.1 |
| 10a (C) | 144.8 |
| 1' (CH3) | 61 |
