Spektraris NMR
Disparacetylfuran A
Common Name: Disparacetylfuran A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H20O6/c1-12(2)9-17(26)21-22(28)20-15(14-7-5-4-6-8-14)11-19(27)30-23(20)16-10-18(13(3)25)29-24(16)21/h4-8,10-12,28H,9H2,1-3H3
InChIKey: InChIKey=GLUBUPWDAFKDCB-UHFFFAOYSA-N
Formula: C24H20O6
Molecular Weight: 404.412906
Exact Mass: 404.125988
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Guilet D., Helesbeux J.J., Seraphin D., Sevenet T., Richomme P., Bruneton J. J Nat Prod (2001) 64, 563-8
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids; 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 |
|---|---|
| 2 (C) | 158.5 |
| 3 (CH) | 115 |
| 4 (C) | 156.4 |
| 5 (C) | 165.9 |
| 6 (C) | 119 |
| 7 (C) | 147 |
| 8 (C) | 110 |
| 9 (C) | 156.5 |
| 10 (C) | 103.4 |
| 1' (C) | 138.4 |
| 2' (CH) | 127.2 |
| 3' (CH) | 127.8 |
| 4' (CH) | 128.6 |
| 5' (CH) | 127.8 |
| 6' (CH) | 127.2 |
| 6a (C) | 204.4 |
| 6b (CH2) | 51.8 |
| 6c (CH) | 25.5 |
| 6d (CH3) | 22.6 |
| 6ca (CH3) | 22.6 |
| 8a (CH) | 111.2 |
| 8b (C) | 152.3 |
| 8c (C) | 186.1 |
| 8d (CH3) | 26.4 |
