Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H14O5/c1-11(19)22-13-5-3-12(4-6-13)17-10-16(20)15-8-7-14(21-2)9-18(15)23-17/h3-10H,1-2H3
InChIKey: InChIKey=PXXZFGFMDAAYCV-UHFFFAOYSA-N
Formula: C18H14O5
Molecular Weight: 310.301441
Exact Mass: 310.084124
NMR Solvent: CDDl3 + DMSO-d6
MHz:
Calibration:
NMR references: 13C - Pelter, A., Ward, R.S., Gray T.I. J Chem Soc, Perkin Trans 1 (1976) 0, 2475
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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) | 161.9 |
| 3 (CH) | 107.3 |
| 4 (C) | 177.4 |
| 5 (CH) | 126.9 |
| 6 (CH) | 114.3 |
| 7 (C) | 164 |
| 8 (CH) | 100.3 |
| 9 (C) | 157.7 |
| 10 (C) | 117.6 |
| 1' (C) | 129.2 |
| 2' (CH) | 127.2 |
| 3' (CH) | 122.1 |
| 4' (C) | 152 |
| 5' (CH) | 122.1 |
| 6' (CH) | 127.3 |
| 7a (CH3) | 55.8 |
| 4'a (C) | 169.7 |
| 4'b (CH3) | 21.1 |
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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.