Spektraris NMR
Inoxanthone
Common Name: Inoxanthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H22O5/c1-6-22(2,3)16-20-13(10-11-23(4,5)28-20)18(26)15-17(25)12-8-7-9-14(24)19(12)27-21(15)16/h6-11,24,26H,1H2,2-5H3
InChIKey: InChIKey=VCRGQEOJJJBBNZ-UHFFFAOYSA-N
Formula: C23H22O5
Molecular Weight: 378.418647
Exact Mass: 378.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yimdjo, M.C., Azebaze, A.G., Nkengfack, A.E., Meyer, A.M., Bodo, B., Fomum, Z.T. Phytochemistry (2004) 65, 2789-95
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) | 156.7 |
| 2 (C) | 105.5 |
| 3 (C) | 159.4 |
| 4 (C) | 113.1 |
| 4a (C) | 144.1 |
| 5 (C) | 153.9 |
| 6 (CH) | 120.5 |
| 7 (CH) | 124.2 |
| 8 (CH) | 116.03 |
| 8a (C) | 119.6 |
| 9 (C) | 181.3 |
| 9a (C) | 103.6 |
| 10a (C) | 145.3 |
| 1' (CH) | 116.01 |
| 2' (CH) | 127.3 |
| 3' (C) | 78.4 |
| 4' (CH3) | 27.9 |
| 5' (CH3) | 27.9 |
| 1'' (C) | 41.3 |
| 2'' (CH) | 155.8 |
| 3'' (CH2) | 104 |
| 4'' (CH3) | 28.2 |
| 5'' (CH3) | 28.2 |
