Spektraris NMR
Mangoxanthone
Common Name: Mangoxanthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H24O6/c1-11(2)5-7-13-21-15(10-17(29-21)23(3,4)27)20(26)18-19(25)14-9-12(24)6-8-16(14)28-22(13)18/h5-6,8-9,17,24,26-27H,7,10H2,1-4H3
InChIKey: InChIKey=PMCGDAQXOZHJMW-UHFFFAOYSA-N
Formula: C23H24O6
Molecular Weight: 396.433933
Exact Mass: 396.157289
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Nguyen, L.H., Venkatraman, G., Sim, K.Y., Harrison, L.J. Phytochemistry (2005) 66, 1718-23
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) | 157.3 |
| 2 (C) | 109 |
| 3 (C) | 167.5 |
| 4 (C) | 103.2 |
| 4a (C) | 156.5 |
| 5 (CH) | 120.4 |
| 6 (CH) | 125.5 |
| 7 (C) | 155.5 |
| 8 (CH) | 109.9 |
| 8a (C) | 122.3 |
| 9 (C) | 182.2 |
| 9a (C) | 104.9 |
| 10a (C) | 151.5 |
| 1' (CH2) | 28 |
| 2' (CH) | 93.2 |
| 3' (C) | 72.3 |
| 4' (CH3) | 26.8 |
| 5' (CH3) | 25.9 |
| 1'' (CH2) | 23.3 |
| 2'' (CH) | 123.5 |
| 3'' (C) | 132.7 |
| 4'' (CH3) | 26.5 |
| 5'' (CH3) | 18.7 |
