Spektraris NMR
CHEMBL228837
Common Name: CHEMBL228837
Synonyms: CHEMBL228837
CAS Registry Number:
InChI: InChI=1S/C23H24O4/c1-14(2)9-10-17-20(26-12-11-15(3)4)13-18(24)21-22(25)16-7-5-6-8-19(16)27-23(17)21/h5-9,11,13,24H,10,12H2,1-4H3
InChIKey: InChIKey=PWWDPCAOXPAFOV-UHFFFAOYSA-N
Formula: C23H24O4
Molecular Weight: 364.435123
Exact Mass: 364.167459
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Castanheiro, R.A., Pinto, M.M., Silva, A.M., Cravo, S.M., Gales, L., Damas, A.M., Nazareth, N., Nascimento, M.S., Eaton, G. Bioorg Med Chem (2007) 15, 6080-8
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) | 161.8 |
| 2 (CH) | 95.1 |
| 3 (C) | 163.6 |
| 4 (C) | 108.1 |
| 4a (C) | 154.1 |
| 5 (CH) | 117.6 |
| 6 (CH) | 134.9 |
| 7 (CH) | 123.7 |
| 8 (CH) | 125.8 |
| 8a (C) | 120.4 |
| 9 (C) | 181.2 |
| 9a (C) | 103.4 |
| 10a (C) | 156.2 |
| 1' (CH2) | 65.7 |
| 2' (CH) | 119 |
| 3' (C) | 138.6 |
| 4' (CH3) | 18.3 |
| 5' (CH3) | 25.8 |
| 1'' (CH2) | 21.7 |
| 2'' (CH) | 122.2 |
| 3'' (C) | 131.5 |
| 4'' (CH3) | 17.9 |
| 5'' (CH3) | 25.8 |
