Spektraris NMR
1,2,5,6,8-PENTAMETHOXY-9H-XANTHEN-9-ONE
Common Name: 1,2,5,6,8-PENTAMETHOXY-9H-XANTHEN-9-ONE
Synonyms: 1,2,5,6,8-PENTAMETHOXY-9H-XANTHEN-9-ONE
CAS Registry Number:
InChI: InChI=1S/C18H18O7/c1-20-10-7-6-9-13(16(10)23-4)15(19)14-11(21-2)8-12(22-3)17(24-5)18(14)25-9/h6-8H,1-5H3
InChIKey: InChIKey=HYIOXGKOIGXMLT-UHFFFAOYSA-N
Formula: C18H18O7
Molecular Weight: 346.332014
Exact Mass: 346.105253
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - de Oliveira, M.C., Silveira, E.R. Phytochemistry (2000) 55, 847-51
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) | 157.3 |
| 2 (CH) | 91 |
| 3 (C) | 156.8 |
| 4 (C) | 129.5 |
| 4a (C) | 151.1 |
| 5 (CH) | 112.3 |
| 6 (CH) | 118.5 |
| 7 (C) | 149.9 |
| 8 (C) | 149.3 |
| 8a (C) | 118 |
| 9 (C) | 175.5 |
| 9a (C) | 107.8 |
| 10a (C) | 148.5 |
| 1' (CH3) | 56.8 |
| 1'' (CH3) | 56.3 |
| 1a (CH3) | 61.6 |
| 3a (CH3) | 56.1 |
| 7a (CH3) | 61.5 |
