Spektraris NMR
Cowaxanthone
Common Name: Cowaxanthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H26O6/c1-13(2)6-5-7-14(3)8-9-15-17(25)11-21-22(23(15)27)24(28)16-10-20(29-4)18(26)12-19(16)30-21/h6,8,10-12,25-27H,5,7,9H2,1-4H3/b14-8+
InChIKey: InChIKey=VEGUCVDYIMCIAZ-RIYZIHGNSA-N
Formula: C24H26O6
Molecular Weight: 410.460551
Exact Mass: 410.172939
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Moriarity, D.M., Huang, J., Yancey, C.A., Zhang, P., Setzer, W.N., Lawton, R.O., Bates, R.B., Caldera, S. Planta Med (1998) 64, 370-2
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) | 159.4 |
| 2 (C) | 109.8 |
| 3 (C) | 162.5 |
| 4 (CH) | 92.9 |
| 4a (C) | 155 |
| 5 (CH) | 102.7 |
| 6 (C) | 154.4 |
| 7 (C) | 145.9 |
| 8 (CH) | 104.8 |
| 8a (C) | 111.5 |
| 9 (C) | 178.8 |
| 9a (C) | 101.4 |
| 10a (C) | 151.8 |
| 1' (CH2) | 20.9 |
| 2' (CH) | 122.2 |
| 3' (C) | 134 |
| 4' (CH3) | 15.9 |
| 5' (CH2) | 40.1 |
| 6' (CH2) | 26.1 |
| 7' (CH) | 124.1 |
| 8' (C) | 130.6 |
| 9' (CH3) | 17.4 |
| 10' (CH3) | 25.4 |
| 7a (CH3) | 55.8 |
