Spektraris NMR
Ponnalide
Common Name: Ponnalide
Synonyms: Ponnalide
CAS Registry Number:
InChI: InChI=1S/C25H24O5/c1-5-14(2)21(27)20-22(28)16-11-12-25(3,4)30-23(16)19-17(13-18(26)29-24(19)20)15-9-7-6-8-10-15/h6-14,28H,5H2,1-4H3
InChIKey: InChIKey=MIXHWJJKSJFGCZ-UHFFFAOYSA-N
Formula: C25H24O5
Molecular Weight: 404.456
Exact Mass: 404.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Verotta, L., Lovaglio, E., Vidari, G., Finzi, P.V., Neri, M.G., Raimondi, A., Parapini, S., Taramelli, D., Riva, A., Bombardelli, E. Phytochemistry (2004) 65, 2867-79
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) | 158.8 |
| 3 (CH) | 111.8 |
| 4 (C) | 156.7 |
| 5 (C) | 156 |
| 6 (C) | 105.8 |
| 7 (C) | 163.8 |
| 8 (C) | 103.6 |
| 9 (C) | 156 |
| 10 (C) | 102.1 |
| 1' (C) | 140 |
| 2' (CH) | 127 |
| 3' (CH) | 127.5 |
| 4' (CH) | 127.7 |
| 5' (CH) | 127.5 |
| 6' (CH) | 127 |
| 6a (CH) | 115.2 |
| 6b (CH) | 126.7 |
| 6c (C) | 79 |
| 6d (CH3) | 27.3 |
| 6e (CH3) | 27.3 |
| 8a (C) | 210.4 |
| 8b (CH) | 46.8 |
| 8c (CH2) | 27.1 |
| 8d (CH3) | 11.7 |
| 8ba (CH3) | 16.5 |
