Spektraris NMR
Licoagrochalcone C
Common Name: Licoagrochalcone C
Synonyms: Licoagrochalcone C
CAS Registry Number:
InChI: InChI=1S/C21H22O5/c1-13(2)4-8-16-18(23)10-6-14(21(16)26-3)5-9-17(22)15-7-11-19(24)20(25)12-15/h4-7,9-12,23-25H,8H2,1-3H3/b9-5+
InChIKey: InChIKey=RDYZHQQZLIBKBP-WEVVVXLNSA-N
Formula: C21H22O5
Molecular Weight: 354.397175
Exact Mass: 354.146724
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Li, W., Asada, Y., Yoshikawa, T. Phytochemistry (2000) 55, 447-56
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) | 188.2 |
| 2 (C) | 120.4 |
| 3 (C) | 139.1 |
| 4 (C) | 121.1 |
| 5 (CH) | 160.5 |
| 6 (CH) | 123 |
| α (CH) | 159.6 |
| β (CH) | 112.7 |
| 1' (C) | 127.4 |
| 2' (CH) | 132.1 |
| 3' (C) | 116.1 |
| 4' (C) | 145.9 |
| 5' (CH) | 150.8 |
| 6' (CH) | 115.6 |
| β' (C) | 122.7 |
| 2a (CH3) | 23.6 |
| 3a (CH2) | 123.9 |
| 3b (CH) | 131.5 |
| 3c (C) | 17.9 |
| 3d (CH3) | 25.8 |
| 3e (CH3) | 62.7 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.