Spektraris NMR
(E)-3,2',3'-Trihydroxy-2-methoxychalcone
Common Name: (E)-3,2',3'-Trihydroxy-2-methoxychalcone
Synonyms: (E)-3,2',3'-Trihydroxy-2-methoxychalcone
CAS Registry Number:
InChI: InChI=1S/C16H14O5/c1-21-16-10(4-2-7-14(16)19)8-9-12(17)11-5-3-6-13(18)15(11)20/h2-9,18-20H,1H3/b9-8+
InChIKey: InChIKey=PJDQNVNHOJMOIG-CMDGGOBGSA-N
Formula: C16H14O5
Molecular Weight: 286.27997
Exact Mass: 286.084124
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Sanchez-Gonzalez, M., Rosazza, J.P. J Nat Prod (2004) 67, 553-8
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) | 121 |
| 2 (C) | 152 |
| 3 (C) | 148 |
| 4 (CH) | 121.5 |
| 5 (CH) | 119.5 |
| 6 (CH) | 121 |
| α (CH) | 122 |
| β (CH) | 142 |
| 1' (C) | 130 |
| 2' (C) | 148 |
| 3' (C) | 151 |
| 4' (CH) | 121 |
| 5' (CH) | 125 |
| 6' (CH) | 120 |
| β' (C) | 195 |
| 2a (CH3) | 60.8 |
