Spektraris NMR
Biochanin A
Common Name: Biochanin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
InChIKey: InChIKey=WUADCCWRTIWANL-UHFFFAOYSA-N
Formula: C16H12O5
Molecular Weight: 284.264088
Exact Mass: 284.068473
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Pelter, A., Ward, R.S., Bass, R.J. J Chem Soc, Perkin Trans 1 (1978) 0, 666-8
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) | 154.5 |
| 3 (C) | 124.2 |
| 4 (C) | 181.6 |
| 5 (C) | 163.9 |
| 6 (CH) | 99.9 |
| 7 (C) | 165 |
| 8 (CH) | 94.5 |
| 9 (C) | 159 |
| 10 (C) | 106.2 |
| 1' (C) | 123.8 |
| 2' (CH) | 131.1 |
| 3' (CH) | 114.5 |
| 4' (C) | 161.7 |
| 5' (CH) | 114.5 |
| 6' (CH) | 131.1 |
| 4'a (CH3) | 55.6 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.