Spektraris NMR
4'-O-methylalpinumisoflavone
Common Name: 4'-O-methylalpinumisoflavone
Synonyms: 4'-O-methylalpinumisoflavone
CAS Registry Number:
InChI: InChI=1S/C21H18O5/c1-21(2)9-8-14-16(26-21)10-17-18(19(14)22)20(23)15(11-25-17)12-4-6-13(24-3)7-5-12/h4-11,22H,1-3H3
InChIKey: InChIKey=QJSPPBAASCPSJB-UHFFFAOYSA-N
Formula: C21H18O5
Molecular Weight: 350.365412
Exact Mass: 350.115424
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lane, G.A., Newman, R.H. Phytochemistry (1987) 26, 295-300
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) | 152.3 |
| 3 (C) | 122.9 |
| 4 (C) | 180.7 |
| 5 (C) | 156.8 |
| 6 (C) | 106.1 |
| 7 (C) | 159.6 |
| 8 (CH) | 94.7 |
| 9 (C) | 157.1 |
| 10 (C) | 105.2 |
| 1' (C) | 123.3 |
| 2' (CH) | 129.9 |
| 3' (CH) | 114 |
| 4' (C) | 159.6 |
| 5' (CH) | 114 |
| 6' (CH) | 129.9 |
| 6a (CH) | 116.5 |
| 6b (CH) | 131.1 |
| 6c (C) | 77.8 |
| 6d (CH3) | 28.2 |
| 6e (CH3) | 28.2 |
| 4'a (CH3) | 55.2 |
