Spektraris NMR
3-hydroxy-1,2,4-trimethoxyxanthen-9-one
Common Name: 3-hydroxy-1,2,4-trimethoxyxanthen-9-one
Synonyms: 3-hydroxy-1,2,4-trimethoxyxanthen-9-one
CAS Registry Number:
InChI: InChI=1S/C16H14O6/c1-19-13-10-11(17)8-6-4-5-7-9(8)22-14(10)16(21-3)12(18)15(13)20-2/h4-7,18H,1-3H3
InChIKey: InChIKey=NPQSHWHFJZKUJC-UHFFFAOYSA-N
Formula: C16H14O6
Molecular Weight: 302.279374
Exact Mass: 302.079038
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Habib, A.M., Reddy, K.S., McCloud, T.G., Chang, C.J., Cassady, J.M. J Nat Prod (1987) 50, 141-5
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) | 132.3 |
| 2 (C) | 148.6 |
| 3 (C) | 150.5 |
| 4 (C) | 138.7 |
| 4a (C) | 147.3 |
| 5 (CH) | 117.5 |
| 6 (CH) | 134.5 |
| 7 (CH) | 124 |
| 8 (CH) | 125.8 |
| 8a (C) | 121.5 |
| 9 (C) | 173.9 |
| 9a (C) | 108.5 |
| 10a (C) | 154.3 |
| 1' (CH3) | 61.6 |
| 1a (CH3) | 61.8 |
| 2a (CH3) | 61.7 |
