Spektraris NMR
CHEMBL443717
Common Name: CHEMBL443717
Synonyms: CHEMBL443717
CAS Registry Number:
InChI: InChI=1S/C20H20O6/c1-10(2)14(22)7-13-15(23)8-16(24)19-17(25)9-18(26-20(13)19)11-3-5-12(21)6-4-11/h3-6,8,14,18,21-24H,1,7,9H2,2H3
InChIKey: InChIKey=BCWBBALYWWRPII-UHFFFAOYSA-N
Formula: C20H20O6
Molecular Weight: 356.369963
Exact Mass: 356.125988
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Maver, M., Queiroz, E.F., Wolfender, J.L., Hostettmann, K. J Nat Prod (2005) 68, 1094-8
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanones; 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 |
|---|---|
| 2 (CH) | 81.2 |
| 3 (CH2) | 42.8 |
| 4 (C) | 198.6 |
| 5 (C) | 160 |
| 6 (CH) | 90.1 |
| 7 (C) | 170.2 |
| 8 (C) | 106.7 |
| 9 (C) | 166.1 |
| 10 (C) | 104.4 |
| 1' (C) | 131.2 |
| 2' (CH) | 128.1 |
| 3' (CH) | 115.3 |
| 4' (C) | 159.4 |
| 5' (CH) | 116.5 |
| 6' (CH) | 129.5 |
| 1'' (CH2) | 30.2 |
| 2'' (CH) | 84.6 |
| 3'' (C) | 145.5 |
| 4'' (CH3) | 16.2 |
| 5'' (CH2) | 112.8 |
