Spektraris NMR
1,3,5-Trihydroxy-2-methoxy-xanthen-9-one
Common Name: 1,3,5-Trihydroxy-2-methoxy-xanthen-9-one
Synonyms: 1,3,5-Trihydroxy-2-methoxy-xanthen-9-one
CAS Registry Number:
InChI: InChI=1S/C14H10O6/c1-19-14-8(16)5-9-10(12(14)18)11(17)6-3-2-4-7(15)13(6)20-9/h2-5,15-16,18H,1H3
InChIKey: InChIKey=JAOZFCHZESUBKS-UHFFFAOYSA-N
Formula: C14H10O6
Molecular Weight: 274.22614
Exact Mass: 274.047738
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Pinto, D.C., Fuzzati, N., Pazmino, X.C., Hostettmann, K. Phytochemistry (1994) 37, 875-8
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) | 153.9 |
| 2 (C) | 130.7 |
| 3 (C) | 159.3 |
| 4 (CH) | 94.1 |
| 4a (C) | 152.3 |
| 5 (C) | 146 |
| 6 (CH) | 120.3 |
| 7 (CH) | 123.8 |
| 8 (CH) | 114.3 |
| 8a (C) | 120.4 |
| 9 (C) | 180.4 |
| 9a (C) | 102.2 |
| 10a (C) | 144.8 |
| 2a (CH3) | 59.8 |
