Spektraris NMR
1,5,6-Trihydroxy-3,7-Dimethoxyxanthen-9-one
Common Name: 1,5,6-Trihydroxy-3,7-Dimethoxyxanthen-9-one
Synonyms: 1,5,6-Trihydroxy-3,7-Dimethoxyxanthen-9-one
CAS Registry Number:
InChI: InChI=1S/C15H12O7/c1-20-6-3-8(16)11-9(4-6)22-15-7(12(11)17)5-10(21-2)13(18)14(15)19/h3-5,16,18-19H,1-2H3
InChIKey: InChIKey=UBCXIVCXMABZNZ-UHFFFAOYSA-N
Formula: C15H12O7
Molecular Weight: 304.252162
Exact Mass: 304.058303
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Shen, J., Yang, J.S. Chem Pharm Bull (2006) 54, 126-8
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) | 162.3 |
| 2 (CH) | 96.7 |
| 3 (C) | 165.6 |
| 4 (CH) | 92.3 |
| 4a (C) | 157.1 |
| 5 (C) | 133.3 |
| 6 (C) | 142.2 |
| 7 (C) | 146 |
| 8 (CH) | 95.3 |
| 8a (C) | 111.2 |
| 9 (C) | 179.4 |
| 9a (C) | 102.4 |
| 10a (C) | 142.2 |
| 3a (CH3) | 55.9 |
| 7a (CH3) | 55.9 |
