Spektraris NMR
Agathisflavone 4',4''',7,7''-tetramethyl ether
Common Name: Agathisflavone 4',4''',7,7''-tetramethyl ether
Synonyms: Agathisflavone 4',4''',7,7''-tetramethyl ether
CAS Registry Number:
InChI: InChI=1S/C34H26O10/c1-39-19-9-5-17(6-10-19)24-14-23(37)30-28(43-24)16-27(42-4)31(33(30)38)32-26(41-3)15-22(36)29-21(35)13-25(44-34(29)32)18-7-11-20(40-2)12-8-18/h5-16,36,38H,1-4H3
InChIKey: InChIKey=JEKGIMFFTVOJKD-UHFFFAOYSA-N
Formula: C34H26O10
Molecular Weight: 594.565529
Exact Mass: 594.152597
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Moreira, I.C., de Carvalho, M.G., Bastos, A., Braz, R. Phytochemistry (1999) 51, 833-8
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) | 163.96 |
| 3 (CH) | 104.42 |
| 4 (C) | 182.85 |
| 5 (C) | 159.41 |
| 6 (C) | 105.5 |
| 7 (C) | 163.54 |
| 8 (CH) | 89.96 |
| 9 (C) | 157.78 |
| 10 (C) | 104.41 |
| 1' (C) | 123.27 |
| 2' (CH) | 127.98 |
| 3' (CH) | 114.49 |
| 4' (C) | 162.63 |
| 5' (CH) | 114.49 |
| 6' (CH) | 127.98 |
| 2'' (C) | 163.96 |
| 3'' (CH) | 103.53 |
| 4'' (C) | 182.4 |
| 5'' (C) | 162.33 |
| 6'' (CH) | 95.47 |
| 7'' (C) | 163.36 |
| 8'' (C) | 98.08 |
| 9'' (C) | 154.47 |
| 10'' (C) | 105.17 |
| 1''' (C) | 123.57 |
| 2''' (CH) | 127.73 |
| 3''' (CH) | 114.36 |
| 4''' (C) | 162.33 |
| 5''' (CH) | 114.36 |
| 6''' (CH) | 127.73 |
| 7a (CH3) | 56.16 |
| 4'a (CH3) | 55.47 |
| 7''a (CH3) | 56.25 |
| 4'''a (CH3) | 55.38 |
