Spektraris NMR
Pratensein
Common Name: Pratensein
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H12O6/c1-21-13-3-2-8(4-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3
InChIKey: InChIKey=FPIOBTBNRZPWJW-UHFFFAOYSA-N
Formula: C16H12O6
Molecular Weight: 300.263493
Exact Mass: 300.063388
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Jain, A.C., Bambah, P.K. Indian J Chem, Sect B (1987) 26, 488-90
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) | 153.4 |
| 3 (C) | 123.7 |
| 4 (C) | 180.4 |
| 5 (C) | 162.7 |
| 6 (CH) | 98.9 |
| 7 (C) | 164.5 |
| 8 (CH) | 93.5 |
| 9 (C) | 157.9 |
| 10 (C) | 106.4 |
| 1' (C) | 122.7 |
| 2' (CH) | 116.7 |
| 3' (C) | 146.3 |
| 4' (C) | 147.6 |
| 5' (CH) | 111.4 |
| 6' (CH) | 119.9 |
| 4'a (CH3) | 55.2 |
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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.