Spektraris NMR
Cuadraflavanone
Common Name: Cuadraflavanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O6/c1-13(2)5-6-15-17(26)11-22-23(24(15)29)19(28)12-21(30-22)16-9-14-7-8-25(3,4)31-20(14)10-18(16)27/h5,7-11,21,26-27,29H,6,12H2,1-4H3/t21-/m0/s1
InChIKey: InChIKey=XPMCEWWRVJLSLM-NRFANRHFSA-N
Formula: C25H26O6
Molecular Weight: 422.471287
Exact Mass: 422.172939
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - T. Fujimoto, T. Nomura Heterocycles (1984) 22, 997
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) | 73.6 |
| 3 (CH2) | 41.4 |
| 4 (C) | 196.7 |
| 5 (C) | 161.6 |
| 6 (C) | 107.6 |
| 7 (C) | 164.3 |
| 8 (CH) | 94.5 |
| 9 (C) | 160.7 |
| 10 (C) | 101.6 |
| 1' (C) | 117.3 |
| 2' (C) | 153.4 |
| 3' (CH) | 103.1 |
| 4' (C) | 155.5 |
| 5' (C) | 125.2 |
| 6' (CH) | 121.6 |
| 6a (CH2) | 20.1 |
| 6b (CH) | 122.8 |
| 6c (C) | 130.2 |
| 6d (CH3) | 17.6 |
| 6e (CH3) | 25.4 |
| 5'a (CH) | 121.6 |
| 5'b (CH) | 125.2 |
| 5'c (C) | 76.2 |
| 5'c (CH3) | 27.8 |
| 5'd (CH3) | 27.8 |
