Spektraris NMR
Acetylblancoxanthone
Common Name: Acetylblancoxanthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H24O6/c1-7-24(3,4)18-22-15(11-12-25(5,6)31-22)20(28)17-19(27)14-9-8-10-16(29-13(2)26)21(14)30-23(17)18/h7-12,28H,1H2,2-6H3
InChIKey: InChIKey=QWXXUZAEBMQQBV-UHFFFAOYSA-N
Formula: C25H24O6
Molecular Weight: 420.455405
Exact Mass: 420.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Wang, L.T., Khalil, A.T., Chiang, L.C., Cheng, P.W. Chem Pharm Bull (2005) 53, 244-7
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 (CH) | 123.8 |
| 2 (CH) | 123.4 |
| 3 (CH) | 127.8 |
| 4 (C) | 154.6 |
| 4a (C) | 144.7 |
| 5 (C) | 112.7 |
| 6 (C) | 158 |
| 7 (C) | 105.2 |
| 8 (C) | 157.8 |
| 8a (C) | 118.6 |
| 9 (C) | 180.1 |
| 9a (C) | 103.9 |
| 10a (C) | 157.5 |
| 1' (C) | 168.9 |
| 2' (CH3) | 21.2 |
| 1'' (C) | 41.6 |
| 2'' (CH) | 150 |
| 3'' (CH2) | 108.5 |
| 4'' (CH3) | 29.9 |
| 5'' (CH3) | 29.9 |
| 1''' (CH) | 115.6 |
| 2''' (CH) | 127.7 |
| 3''' (C) | 78.4 |
| 4''' (CH3) | 28 |
| 5''' (CH3) | 28 |
