Spektraris NMR
5-Acetyl-7,4'-dimethoxyflavone-(6–8'')-5-acetyl-7'',4'''-dimethoxyflavone
Common Name: 5-Acetyl-7,4'-dimethoxyflavone-(6–8'')-5-acetyl-7'',4'''-dimethoxyflavone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H30O12/c1-19(39)47-31-17-29(45-5)36(38-33(31)26(42)16-28(50-38)22-9-13-24(44-4)14-10-22)35-30(46-6)18-32-34(37(35)48-20(2)40)25(41)15-27(49-32)21-7-11-23(43-3)12-8-21/h7-18H,1-6H3
InChIKey: InChIKey=AYCXGKNWBLNQJD-UHFFFAOYSA-N
Formula: C38H30O12
Molecular Weight: 678.639046
Exact Mass: 678.173726
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - de Carvalho, M.G., do Rocha Gomes, M.S., Fernandes Pereira, A.H., de Souza Daniel, J.F., Schripsema, J. Magn Reson Chem (2006) 44, 35-7
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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 (C) | 161.9 |
| 3 (CH) | 107.4 |
| 4 (C) | 176.5 |
| 5 (C) | 155.7 |
| 6 (C) | 107.1 |
| 7 (C) | 161.7 |
| 8 (CH) | 97 |
| 9 (C) | 158.8 |
| 10 (C) | 111.3 |
| 1' (C) | 123.7 |
| 2' (CH) | 127.8 |
| 3' (CH) | 114.5 |
| 4' (C) | 162.4 |
| 5' (CH) | 114.5 |
| 6' (CH) | 127.8 |
| 2'' (C) | 162.2 |
| 3'' (CH) | 106.4 |
| 4'' (C) | 176.9 |
| 5'' (C) | 150.9 |
| 6'' (CH) | 103.7 |
| 7'' (C) | 161 |
| 8'' (C) | 107.1 |
| 9'' (C) | 158.8 |
| 10'' (C) | 111 |
| 1''' (C) | 123.7 |
| 2''' (CH) | 127.7 |
| 3''' (CH) | 114.4 |
| 4''' (C) | 162.2 |
| 5''' (CH) | 114.4 |
| 6''' (CH) | 127.7 |
| 5a (C) | 168.7 |
| 5b (CH3) | 20.9 |
| 7a (CH3) | 56.4 |
| 4'a (CH3) | 55.4 |
| 5''a (C) | 169.6 |
| 5''b (CH3) | 21.2 |
| 7''a (CH3) | 56.3 |
| 4'''a (CH3) | 55.5 |
