Spektraris NMR
34086-51-6
Common Name: 34086-51-6
Synonyms: 34086-51-6
CAS Registry Number:
InChI: InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-12(21-2)7-14(18)16(15)17(13)19/h3-9,18H,1-2H3
InChIKey: InChIKey=DQNLRFRBAWCJHQ-UHFFFAOYSA-N
Formula: C17H14O5
Molecular Weight: 298.290705
Exact Mass: 298.084124
NMR Solvent: CDDl3 + DMSO-d6
MHz:
Calibration:
NMR references: 13C - Vilain, C., Jadot, J. Bull Soc Chim Belg (1977) 86, 473
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 |
| 3 (C) | 122.7 |
| 4 (C) | 180.5 |
| 5 (C) | 162.2 |
| 6 (CH) | 98.1 |
| 7 (C) | 165.4 |
| 8 (CH) | 92.2 |
| 9 (C) | 157.8 |
| 10 (C) | 105.8 |
| 1' (C) | 122.9 |
| 2' (CH) | 130.1 |
| 3' (CH) | 113.7 |
| 4' (C) | 159.4 |
| 5' (CH) | 113.7 |
| 6' (CH) | 130.1 |
| 7a (CH3) | 55.1 |
| 4'a (CH3) | 55.8 |
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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.