Spektraris NMR
1-Hydroxy-2-methyl-3-(prenyloxy)-9H-xanthene-9-one
Common Name: 1-Hydroxy-2-methyl-3-(prenyloxy)-9H-xanthene-9-one
Synonyms: 1-Hydroxy-2-methyl-3-(prenyloxy)-9H-xanthene-9-one
CAS Registry Number:
InChI: InChI=1S/C19H18O4/c1-11(2)8-9-22-15-10-16-17(18(20)12(15)3)19(21)13-6-4-5-7-14(13)23-16/h4-8,10,20H,9H2,1-3H3
InChIKey: InChIKey=WRNNXIAXSSIDRN-UHFFFAOYSA-N
Formula: C19H18O4
Molecular Weight: 310.344535
Exact Mass: 310.120509
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) | 159.6 |
| 2 (C) | 108.1 |
| 3 (C) | 164 |
| 4 (CH) | 90.3 |
| 4a (C) | 155.8 |
| 5 (CH) | 117.4 |
| 6 (CH) | 134.6 |
| 7 (CH) | 123.7 |
| 8 (CH) | 125.8 |
| 8a (C) | 120.7 |
| 9 (C) | 180.6 |
| 9a (C) | 103.4 |
| 10a (C) | 155.8 |
| 1' (CH2) | 65.6 |
| 2' (CH) | 118.9 |
| 3' (C) | 138.4 |
| 4' (CH3) | 18.3 |
| 5' (CH3) | 25.8 |
| 2a (CH3) | 7.3 |
