Spektraris NMR
1-Hydroxy-3-(prenyloxy)-9H-xanthene-9-one
Common Name: 1-Hydroxy-3-(prenyloxy)-9H-xanthene-9-one
Synonyms: 1-Hydroxy-3-(prenyloxy)-9H-xanthene-9-one
CAS Registry Number:
InChI: InChI=1S/C18H16O4/c1-11(2)7-8-21-12-9-14(19)17-16(10-12)22-15-6-4-3-5-13(15)18(17)20/h3-7,9-10,19H,8H2,1-2H3
InChIKey: InChIKey=IZBWCGBOOSCKRX-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) | 163.4 |
| 2 (CH) | 97.6 |
| 3 (C) | 166 |
| 4 (CH) | 93.4 |
| 4a (C) | 157.6 |
| 5 (CH) | 117.5 |
| 6 (CH) | 134.9 |
| 7 (CH) | 123.9 |
| 8 (CH) | 125.8 |
| 8a (C) | 120.6 |
| 9 (C) | 180.7 |
| 9a (C) | 103.8 |
| 10a (C) | 156 |
| 1' (CH2) | 65.4 |
| 2' (CH) | 118.5 |
| 3' (C) | 139.4 |
| 4' (CH3) | 18.3 |
| 5' (CH3) | 25.8 |
