Spektraris NMR
3,8-Dihydroxy-4,6-dimethoxy-9-oxo-9H-xanthene-1-carboxylic acid methyl ester
Common Name: 3,8-Dihydroxy-4,6-dimethoxy-9-oxo-9H-xanthene-1-carboxylic acid methyl ester
Synonyms: 3,8-Dihydroxy-4,6-dimethoxy-9-oxo-9H-xanthene-1-carboxylic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C17H14O8/c1-22-7-4-9(18)13-11(5-7)25-16-12(14(13)20)8(17(21)24-3)6-10(19)15(16)23-2/h4-6,18-19H,1-3H3
InChIKey: InChIKey=YOKTYPRIGTVGHQ-UHFFFAOYSA-N
Formula: C17H14O8
Molecular Weight: 346.28892
Exact Mass: 346.068867
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Santos, L.C., Piacente, S., De Riccardis, F., Eletto, A.M., Pizza, C., Vilegas, W. Phytochemistry (2001) 56, 853-6
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) | 164.2 |
| 2 (CH) | 98.3 |
| 3 (C) | 168.2 |
| 4 (CH) | 93.2 |
| 4a (C) | 158.5 |
| 5 (C) | 136.9 |
| 6 (C) | 157.1 |
| 7 (CH) | 113.6 |
| 8 (C) | 130.3 |
| 8a (C) | 112.7 |
| 9 (C) | 180.3 |
| 9a (C) | 103.9 |
| 10a (C) | 155.6 |
| 1' (C) | 171.3 |
| 3a (CH3) | 56.5 |
| 5a (CH3) | 61.9 |
| 1'a (CH3) | 53.4 |
