Spektraris NMR
Coutareagenin
Common Name: Coutareagenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H12O6/c1-21-9-5-13(19)16-10(7-15(20)22-14(16)6-9)8-2-3-11(17)12(18)4-8/h2-7,17-19H,1H3
InChIKey: InChIKey=DEVKCCHIUHLHCF-UHFFFAOYSA-N
Formula: C16H12O6
Molecular Weight: 300.263493
Exact Mass: 300.063388
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Reher G., Kraus L.J., Sinnwell V., Koenig W.A. Phytochemistry (1983) 22, 1524
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids; 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 (C) | 164.1 |
| 3 (CH) | 112.5 |
| 4 (C) | 158.2 |
| 5 (C) | 157.3 |
| 6 (CH) | 94.4 |
| 7 (C) | 160.6 |
| 8 (CH) | 99.4 |
| 9 (C) | 156.3 |
| 10 (C) | 103.1 |
| 1' (C) | 131.7 |
| 2' (CH) | 115.6 |
| 3' (C) | 145.3 |
| 4' (C) | 146.6 |
| 5' (CH) | 116 |
| 6' (CH) | 120.3 |
| 7a (CH3) | 56.1 |
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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.