Spektraris NMR
Merguenone
Common Name: Merguenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H22O5/c1-12(2)5-6-13-7-8-15(24)22-18(13)20(26)19-16(25)11-17-14(21(19)27-22)9-10-23(3,4)28-17/h5,7-11,24-25H,6H2,1-4H3
InChIKey: InChIKey=FKYXDRMARIULEK-UHFFFAOYSA-N
Formula: C23H22O5
Molecular Weight: 378.418647
Exact Mass: 378.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nguyen, L.H., Vo, H.T., Pham, H.D., Connolly, J.D., Harrison, L.J. Phytochemistry (2003) 63, 467-70
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) | 164 |
| 2 (CH) | 100.1 |
| 3 (C) | 160.9 |
| 4 (C) | 100.8 |
| 4a (C) | 150.6 |
| 5 (C) | 142.9 |
| 6 (CH) | 120.1 |
| 7 (CH) | 125.7 |
| 8 (C) | 136.2 |
| 8a (C) | 118.9 |
| 9 (C) | 183.3 |
| 9a (C) | 104.6 |
| 10a (C) | 145.6 |
| 1' (CH) | 115 |
| 2' (CH) | 127.9 |
| 3' (C) | 78.5 |
| 4' (CH3) | 28.6 |
| 5' (CH3) | 28.6 |
| 1'' (CH2) | 33.4 |
| 2'' (CH) | 123.3 |
| 3'' (C) | 133.1 |
| 4'' (CH3) | 26.3 |
| 5'' (CH3) | 18.4 |
