Spektraris NMR
Alpinumisoflavone dimethyl ether
Common Name: Alpinumisoflavone dimethyl ether
Synonyms: Alpinumisoflavone dimethyl ether
CAS Registry Number:
InChI: InChI=1S/C22H20O5/c1-22(2)10-9-15-17(27-22)11-18-19(21(15)25-4)20(23)16(12-26-18)13-5-7-14(24-3)8-6-13/h5-12H,1-4H3
InChIKey: InChIKey=WRINUBCCCQLTPU-UHFFFAOYSA-N
Formula: C22H20O5
Molecular Weight: 364.392029
Exact Mass: 364.131074
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Khalid, S.A., Waterman, P.G. Phytochemistry (1983) 22, 1001-3
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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) | 150.8 |
| 3 (C) | 124.7 |
| 4 (C) | 175.5 |
| 5 (C) | 158.5 |
| 6 (C) | 113.6 |
| 7 (C) | 160 |
| 8 (CH) | 101 |
| 9 (C) | 156.3 |
| 10 (C) | 113.6 |
| 1' (C) | 126 |
| 2' (CH) | 130.7 |
| 3' (CH) | 114.2 |
| 4' (C) | 159.2 |
| 5' (CH) | 114.2 |
| 6' (CH) | 130.7 |
| 5a (CH3) | 55.3 |
| 6a (CH) | 116.5 |
| 6b (CH) | 131.1 |
| 6c (C) | 77.9 |
| 6d (CH3) | 28.5 |
| 6e (CH3) | 28.5 |
| 4'a (CH3) | 63 |
