Spektraris NMR
8-carboxymethyl-1,3,5,6-tetrahydroxyxanthone
Common Name: 8-carboxymethyl-1,3,5,6-tetrahydroxyxanthone
Synonyms: 8-carboxymethyl-1,3,5,6-tetrahydroxyxanthone
CAS Registry Number:
InChI: InChI=1S/C16H12O8/c1-22-6-3-8(17)12-10(4-6)24-15-11(14(12)20)7(16(21)23-2)5-9(18)13(15)19/h3-5,17-19H,1-2H3
InChIKey: InChIKey=VDFOHPZYWVBCGL-UHFFFAOYSA-N
Formula: C16H12O8
Molecular Weight: 332.262303
Exact Mass: 332.053217
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) | 164.3 |
| 2 (CH) | 98.1 |
| 3 (C) | 168.1 |
| 4 (CH) | 93.6 |
| 4a (C) | 158.6 |
| 5 (C) | 135.1 |
| 6 (C) | 151.9 |
| 7 (CH) | 112.8 |
| 8 (C) | 125.6 |
| 8a (C) | 111.9 |
| 9 (C) | 180.5 |
| 9a (C) | 103.9 |
| 10a (C) | 147.2 |
| 1' (C) | 171.9 |
| 3a (CH3) | 56.4 |
| 1'a (CH3) | 53.3 |
