Spektraris NMR
Brasilixanthone B
Common Name: Brasilixanthone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H20O6/c1-22(2)7-5-11-14(28-22)10-16-18(19(11)25)20(26)17-12-6-8-23(3,4)29-21(12)13(24)9-15(17)27-16/h5-10,24-25H,1-4H3
InChIKey: InChIKey=CPBXNYZFGKIZDX-UHFFFAOYSA-N
Formula: C23H20O6
Molecular Weight: 392.40217
Exact Mass: 392.125988
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marques, V.L., De Oliveira, F.M., Conserva, L.M., Brito, R.G., Guilhon, G.M. Phytochemistry (2000) 55, 815-8
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) | 159.56 |
| 2 (C) | 104.47 |
| 3 (C) | 158.61 |
| 4 (CH) | 94.28 |
| 4a (C) | 155.12 |
| 5 (CH) | 102.44 |
| 6 (C) | 150.94 |
| 7 (C) | 135.76 |
| 8 (C) | 121.5 |
| 8a (C) | 110.14 |
| 9 (C) | 182.12 |
| 9a (C) | 103.78 |
| 10a (C) | 152.47 |
| 1' (CH) | 120.99 |
| 2' (CH) | 132.31 |
| 3' (C) | 77.43 |
| 4' (CH3) | 27.39 |
| 5' (CH3) | 27.39 |
| 2a (CH) | 115.69 |
| 2b (CH) | 127.19 |
| 2c (C) | 77.43 |
| 2d (CH3) | 28.38 |
| 2e (CH3) | 28.38 |
