Spektraris NMR
5-O-Methylalpinumisoflavone
Common Name: 5-O-Methylalpinumisoflavone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H18O5/c1-21(2)9-8-14-16(26-21)10-17-18(20(14)24-3)19(23)15(11-25-17)12-4-6-13(22)7-5-12/h4-11,22H,1-3H3
InChIKey: InChIKey=GIVRDLOWBBXCNM-UHFFFAOYSA-N
Formula: C21H18O5
Molecular Weight: 350.365412
Exact Mass: 350.115424
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) | 150.7 |
| 3 (C) | 125.9 |
| 4 (C) | 175.7 |
| 5 (C) | 155.7 |
| 6 (C) | 113.4 |
| 7 (C) | 158.2 |
| 8 (CH) | 100.7 |
| 9 (C) | 158.8 |
| 10 (C) | 113.1 |
| 1' (C) | 123.5 |
| 2' (CH) | 130.5 |
| 3' (CH) | 115.7 |
| 4' (C) | 156.3 |
| 5' (CH) | 115.7 |
| 6' (CH) | 130.5 |
| 2'' (C) | 77.8 |
| 3'' (CH) | 130.8 |
| 4'' (CH) | 116.1 |
| 5'' (CH3) | 28.3 |
| 6'' (CH3) | 28.3 |
| 5a (CH3) | 62.9 |
