Spektraris NMR
Licoagrochalcone B
Common Name: Licoagrochalcone B
Synonyms: Licoagrochalcone B
CAS Registry Number:
InChI: InChI=1S/C21H20O4/c1-21(2)13-12-17-19(25-21)11-7-15(20(17)24-3)6-10-18(23)14-4-8-16(22)9-5-14/h4-13,22H,1-3H3/b10-6+
InChIKey: InChIKey=BOJUBZPEDAAMPG-UXBLZVDNSA-N
Formula: C21H20O4
Molecular Weight: 336.381889
Exact Mass: 336.136159
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) | 188.1 |
| 2 (C) | 121.2 |
| 3 (C) | 138.1 |
| 4 (C) | 121.9 |
| 5 (CH) | 157.1 |
| 6 (CH) | 115.8 |
| α (CH) | 157.1 |
| β (CH) | 113.9 |
| 1' (C) | 129.2 |
| 2' (CH) | 131.7 |
| 3' (CH) | 131.7 |
| 4' (C) | 116.1 |
| 5' (CH) | 162.5 |
| 6' (CH) | 116.1 |
| β' (C) | 131.7 |
| 1'' (CH) | 117.2 |
| 2'' (CH) | 131.7 |
| 3'' (C) | 77.4 |
| 4'' (CH3) | 28.1 |
| 5'' (CH3) | 28.1 |
| 2a (CH3) | 63.2 |
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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.