Spektraris NMR
Gaboxanthone
Common Name: Gaboxanthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O7/c1-12(2)7-8-14-21-13(9-10-25(3,4)32-21)18(26)17-19(27)15-11-16(29-5)24(30-6)20(28)23(15)31-22(14)17/h7,9-11,26,28H,8H2,1-6H3
InChIKey: InChIKey=CAEVETBYJYICTB-UHFFFAOYSA-N
Formula: C25H26O7
Molecular Weight: 438.470692
Exact Mass: 438.167853
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ngouela, S., Lenta, B.N., Noungoue, D.T., Ngoupayo, J., Boyom, F.F., Tsamo, E., Gut, J., Rosenthal, P.J., Connolly, J.D. Phytochemistry (2006) 67, 302-6
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) | 158 |
| 2 (C) | 105 |
| 3 (C) | 155.6 |
| 4 (C) | 107.5 |
| 4a (C) | 153 |
| 5 (C) | 140 |
| 6 (C) | 141.1 |
| 7 (C) | 149.4 |
| 8 (CH) | 96.6 |
| 8a (C) | 116 |
| 9 (C) | 180 |
| 9a (C) | 103.3 |
| 10a (C) | 138 |
| 1' (CH2) | 21.6 |
| 2' (CH) | 122.3 |
| 3' (C) | 131.7 |
| 4' (CH3) | 25.8 |
| 5' (CH3) | 17.9 |
| 2a (CH) | 115.8 |
| 2b (CH) | 127.4 |
| 2c (C) | 78.1 |
| 2d (CH3) | 28.4 |
| 2e (CH3) | 28.4 |
| 6a (CH3) | 61.4 |
| 7a (CH3) | 56.2 |
