Spektraris NMR
2'-O-Methylabronisoflavone
Common Name: 2'-O-Methylabronisoflavone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H14O5/c1-9-12(18)7-14-15(16(9)19)17(20)11(8-22-14)10-5-3-4-6-13(10)21-2/h3-8,18-19H,1-2H3
InChIKey: InChIKey=MNTFQBBYPKFUJE-UHFFFAOYSA-N
Formula: C17H14O5
Molecular Weight: 298.290705
Exact Mass: 298.084124
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Yang, S.W., Ubillas, R., McAlpine, J., Stafford, A., Ecker, D.M., Talbot, M.K., Rogers, B. J Nat Prod (2001) 64, 313-7
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) | 155.9 |
| 3 (C) | 122.2 |
| 4 (C) | 181.7 |
| 5 (C) | 160.3 |
| 6 (C) | 108.9 |
| 7 (C) | 163.6 |
| 8 (CH) | 93.8 |
| 9 (C) | 157.2 |
| 10 (C) | 105.7 |
| 1' (C) | 121.3 |
| 2' (C) | 159.1 |
| 3' (CH) | 112.1 |
| 4' (CH) | 131 |
| 5' (CH) | 121.4 |
| 6' (CH) | 132.6 |
| 6a (CH3) | 7.4 |
| 2'a (CH3) | 56.1 |
