Spektraris NMR
2,8-dimethoxy-6-methyl-9-oxo-9h-xanthene-1-carboxylic acid methyl ester
Common Name: 2,8-dimethoxy-6-methyl-9-oxo-9h-xanthene-1-carboxylic acid methyl ester
Synonyms: 2,8-dimethoxy-6-methyl-9-oxo-9h-xanthene-1-carboxylic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C18H16O6/c1-9-7-12(22-3)14-13(8-9)24-11-6-5-10(21-2)16(18(20)23-4)15(11)17(14)19/h5-8H,1-4H3
InChIKey: InChIKey=KEQZGFQREPTIDG-UHFFFAOYSA-N
Formula: C18H16O6
Molecular Weight: 328.316728
Exact Mass: 328.094688
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Healy, P.C., Hocking, A., Tran-Dinh, N., Pitt, J.I., Shivas, R.G., Mitchell, J.K., Kotiw, M., Davis, R.A. Phytochemistry (2004) 65, 2373-8
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) | 120.2 |
| 2 (C) | 151.9 |
| 3 (CH) | 119.5 |
| 4 (CH) | 119.5 |
| 4a (C) | 148.2 |
| 5 (CH) | 109.3 |
| 6 (C) | 147.1 |
| 7 (CH) | 107.3 |
| 8 (C) | 159.8 |
| 8a (C) | 108.8 |
| 9 (C) | 173.4 |
| 9a (C) | 119.7 |
| 10a (C) | 157 |
| 1' (C) | 166.8 |
| 2' (CH3) | 52.1 |
| 1'' (CH3) | 56.7 |
| 1''' (CH3) | 21.8 |
| 1'''' (CH3) | 56.1 |
