Spektraris NMR
Tunicatachalcone
Common Name: Tunicatachalcone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H30O4/c1-18(2)13-15-26(16-14-19(3)4)23(28)17-22(30-5)24(25(26)29)21(27)12-11-20-9-7-6-8-10-20/h6-14,17,27H,15-16H2,1-5H3/b12-11+,24-21-
InChIKey: InChIKey=FHECBCWIVGBBEG-OKCWMKPZSA-N
Formula: C26H30O4
Molecular Weight: 406.514976
Exact Mass: 406.214409
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) | 134.85 |
| 2 (CH) | 128.37 |
| 3 (CH) | 128.98 |
| 4 (CH) | 130.46 |
| 5 (CH) | 128.98 |
| 6 (CH) | 128.37 |
| α (CH) | 122.94 |
| β (CH) | 143.22 |
| 1' (C) | 105.5 |
| 2' (C) | 205.56 |
| 3' (C) | 62 |
| 4' (C) | 198.09 |
| 5' (CH) | 98.86 |
| 6' (C) | 171 |
| β' (C) | 178.94 |
| 1'' (CH2) | 38.19 |
| 2'' (CH) | 118 |
| 3'' (C) | 134.85 |
| 4'' (CH3) | 25.79 |
| 5'' (CH3) | 17.82 |
| 1''' (CH2) | 38.19 |
| 2''' (CH) | 118 |
| 3''' (C) | 134.85 |
| 4''' (CH3) | 25.79 |
| 5''' (CH3) | 17.82 |
| 6'a (CH3) | 56.08 |
