Spektraris NMR
Montrouxanthone
Common Name: Montrouxanthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H24O6/c1-12(2)5-4-6-13(3)7-8-14-17(25)11-18(26)19-20(27)15-9-10-16(24)21(28)23(15)29-22(14)19/h5,7,9-11,24-26,28H,4,6,8H2,1-3H3/b13-7+
InChIKey: InChIKey=AUVRDSMLKZAONH-NTUHNPAUSA-N
Formula: C23H24O6
Molecular Weight: 396.433933
Exact Mass: 396.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ito, C., Mishina, Y., Litaudon, M., Cosson, J.P., Furukawa, H. Phytochemistry (2000) 53, 1043-6
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) | 161.71 |
| 2 (CH) | 98.99 |
| 3 (C) | 161.71 |
| 4 (C) | 105.08 |
| 4a (C) | 154.2 |
| 5 (C) | 130.36 |
| 6 (C) | 149.42 |
| 7 (CH) | 112.59 |
| 8 (CH) | 118.28 |
| 8a (C) | 114.13 |
| 9 (C) | 180.54 |
| 9a (C) | 103.25 |
| 10a (C) | 145.12 |
| 1' (CH2) | 21.9 |
| 2' (CH) | 121.46 |
| 3' (C) | 138.66 |
| 4' (CH2) | 39.57 |
| 5' (CH2) | 26.31 |
| 6' (CH) | 123.56 |
| 7' (C) | 132.2 |
| 3'a (CH3) | 16.32 |
| 7'a (CH3) | 17.7 |
| 7'b (CH3) | 25.62 |
