Spektraris NMR
Pongachalcone I
Common Name: Pongachalcone I
Synonyms: Pongachalcone I
CAS Registry Number:
InChI: InChI=1S/C21H20O4/c1-21(2)12-11-15-17(25-21)13-18(24-3)19(20(15)23)16(22)10-9-14-7-5-4-6-8-14/h4-13,23H,1-3H3/b10-9+
InChIKey: InChIKey=VLSXHSGQICXETC-MDZDMXLPSA-N
Formula: C21H20O4
Molecular Weight: 336.381889
Exact Mass: 336.136159
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Andrei, C.C., Ferreira, D.T., Faccione, M., de Moraes, L.A., de Carvalho, M.G., Braz-Filho, R. Phytochemistry (2000) 55, 799-804
Species:
Notes: Family : Flavonoids, Type : Chalconoids; 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) | 135.46 |
| 2 (CH) | 122.21 |
| 3 (CH) | 128.76 |
| 4 (CH) | 129.91 |
| 5 (CH) | 128.76 |
| 6 (CH) | 122.21 |
| α (CH) | 127.54 |
| β (CH) | 142.04 |
| 1' (C) | 105.92 |
| 2' (C) | 160.26 |
| 3' (C) | 102.82 |
| 4' (C) | 162.49 |
| 5' (CH) | 91.43 |
| 6' (C) | 162.49 |
| β' (C) | 192.52 |
| 2'' (C) | 78.12 |
| 3'' (CH) | 125.24 |
| 4'' (CH) | 115.94 |
| 5'' (CH3) | 28.3 |
| 6'' (CH3) | 28.3 |
| 6'a (CH3) | 55.74 |
