Spektraris NMR
Caledonixanthone E
Common Name: Caledonixanthone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H16O6/c1-19(2)8-7-10-16-12(14(22)18(23-3)17(10)25-19)13(21)9-5-4-6-11(20)15(9)24-16/h4-8,20,22H,1-3H3
InChIKey: InChIKey=ZIEUXPKJRAAADX-UHFFFAOYSA-N
Formula: C19H16O6
Molecular Weight: 340.327464
Exact Mass: 340.094688
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Morel, C., Seraphin, D., Teyrouz, A., Larcher, G., Bouchara, J.P., Litaudon, M., Richomme, P., Bruneton, J. Planta Med (2002) 68, 41-4
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) | 155.3 |
| 2 (C) | 131.8 |
| 3 (C) | 153.9 |
| 4 (C) | 101.3 |
| 4a (C) | 146.7 |
| 5 (C) | 144.2 |
| 6 (CH) | 120.8 |
| 7 (CH) | 124.8 |
| 8 (CH) | 117 |
| 8a (C) | 120.4 |
| 9 (C) | 181.1 |
| 9a (C) | 103.5 |
| 10a (C) | 144.3 |
| 1' (CH) | 114.7 |
| 2' (CH) | 127.8 |
| 3' (C) | 78.7 |
| 4' (CH3) | 28.1 |
| 5' (CH3) | 28.1 |
| 1'' (CH3) | 61.1 |
