Spektraris NMR
CHEMBL229465
Common Name: CHEMBL229465
Synonyms: CHEMBL229465
CAS Registry Number:
InChI: InChI=1S/C18H16O4/c1-18(2)8-7-11-14(22-18)9-12(19)15-16(20)10-5-3-4-6-13(10)21-17(11)15/h3-6,9,19H,7-8H2,1-2H3
InChIKey: InChIKey=NIYOFKHNJSNYPA-UHFFFAOYSA-N
Formula: C18H16O4
Molecular Weight: 296.317918
Exact Mass: 296.104859
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) | 160.9 |
| 2 (CH) | 99.4 |
| 3 (C) | 161.7 |
| 4 (C) | 99.8 |
| 4a (C) | 154.7 |
| 5 (CH) | 117.5 |
| 6 (CH) | 134.7 |
| 7 (CH) | 124 |
| 8 (CH) | 125.9 |
| 8a (C) | 120.7 |
| 9 (C) | 180.8 |
| 9a (C) | 103.7 |
| 10a (C) | 155.9 |
| 1' (CH2) | 16.2 |
| 2' (CH2) | 31.8 |
| 3' (C) | 76.2 |
| 4' (CH3) | 26.7 |
| 5' (CH3) | 26.7 |
