Spektraris NMR
Licoagrochalcone D
Common Name: Licoagrochalcone D
Synonyms: Licoagrochalcone D
CAS Registry Number:
InChI: InChI=1S/C21H22O5/c1-21(2,24)19-12-16-18(26-19)11-7-14(20(16)25-3)6-10-17(23)13-4-8-15(22)9-5-13/h4-11,19,22,24H,12H2,1-3H3/b10-6+
InChIKey: InChIKey=FMKHMNBODOXQLQ-UXBLZVDNSA-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) | 120.4 |
| 2 (C) | 157.5 |
| 3 (C) | 118 |
| 4 (C) | 165.3 |
| 5 (CH) | 105.4 |
| 6 (CH) | 129.8 |
| α (CH) | 120 |
| β (CH) | 139.2 |
| 1' (C) | 131.5 |
| 2' (CH) | 131.5 |
| 3' (CH) | 116 |
| 4' (C) | 162.4 |
| 5' (CH) | 116 |
| 6' (CH) | 131.5 |
| β' (C) | 188.2 |
| 2a (CH3) | 60 |
| 3a (CH2) | 29.6 |
| 3b (CH) | 91.2 |
| 3c (C) | 71.4 |
| 3d (CH3) | 25.4 |
| 3e (CH3) | 26 |
