Spektraris NMR
CHEMBL228784
Common Name: CHEMBL228784
Synonyms: CHEMBL228784
CAS Registry Number:
InChI: InChI=1S/C24H26O4/c1-14(2)10-11-18-23(27-13-12-15(3)4)16(5)21(25)20-22(26)17-8-6-7-9-19(17)28-24(18)20/h6-10,12,25H,11,13H2,1-5H3
InChIKey: InChIKey=NVTVJUZUZHMOHG-UHFFFAOYSA-N
Formula: C24H26O4
Molecular Weight: 378.461741
Exact Mass: 378.183109
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) | 158.9 |
| 2 (C) | 113.4 |
| 3 (C) | 162.9 |
| 4 (C) | 113.2 |
| 4a (C) | 152.8 |
| 5 (CH) | 117.7 |
| 6 (CH) | 135 |
| 7 (CH) | 123.7 |
| 8 (CH) | 125.9 |
| 8a (C) | 120.4 |
| 9 (C) | 181.8 |
| 9a (C) | 105.8 |
| 10a (C) | 156.1 |
| 1' (CH2) | 70.7 |
| 2' (CH) | 119.8 |
| 3' (C) | 138.5 |
| 4' (CH3) | 18.1 |
| 5' (CH3) | 25.9 |
| 1'' (CH2) | 22.8 |
| 2'' (CH) | 122.8 |
| 3'' (C) | 131.7 |
| 4'' (CH3) | 18 |
| 5'' (CH3) | 25.7 |
| 2a (CH3) | 8.8 |
