Spektraris NMR
Hydroxy-4'-O-methylalpinumisoflavone
Common Name: Hydroxy-4'-O-methylalpinumisoflavone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H18O6/c1-21(2)7-6-12-16(27-21)9-17-18(19(12)23)20(24)13(10-26-17)11-4-5-15(25-3)14(22)8-11/h4-10,22-23H,1-3H3
InChIKey: InChIKey=XEOFUBPZBRENSE-UHFFFAOYSA-N
Formula: C21H18O6
Molecular Weight: 366.364817
Exact Mass: 366.110338
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Asomaning, W.A., Otoo, E., Akoto, O., Oppong, I.V., Addae-Mensah, I., Waibel, R., Achenbach, H. Phytochemistry (1999) 51, 937-41
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) | 152.6 |
| 3 (C) | 123.4 |
| 4 (C) | 180.8 |
| 5 (C) | 157 |
| 6 (C) | 106.1 |
| 7 (C) | 159.5 |
| 8 (CH) | 94.8 |
| 9 (C) | 157.2 |
| 10 (C) | 105.6 |
| 1' (C) | 124 |
| 2' (CH) | 115.1 |
| 3' (C) | 145.7 |
| 4' (C) | 146.8 |
| 5' (CH) | 110.7 |
| 6' (CH) | 121 |
| 2'' (C) | 76.5 |
| 3'' (CH) | 128.1 |
| 4'' (CH) | 115.5 |
| 5'' (CH3) | 28.3 |
| 6'' (CH3) | 28.3 |
| 4'a (CH3) | 56 |
