Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H16O6/c1-21-14-9-15(22-2)18-16(17(14)23-3)12(20)8-13(24-18)10-6-4-5-7-11(10)19/h4-9,19H,1-3H3
InChIKey: InChIKey=PFJKXLJUAFEPMV-UHFFFAOYSA-N
Formula: C18H16O6
Molecular Weight: 328.316728
Exact Mass: 328.094688
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - M. Iinuma, S. Matsuura, K. Kusuda Chem Pharm Bull (1980) 28, 708
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) | 158.2 |
| 3 (CH) | 111.2 |
| 4 (C) | 176.4 |
| 5 (C) | 144.7 |
| 6 (C) | 139 |
| 7 (CH) | 118.9 |
| 8 (C) | 140.6 |
| 9 (C) | 139 |
| 10 (C) | 104.3 |
| 1' (C) | 117.5 |
| 2' (C) | 156 |
| 3' (CH) | 116.6 |
| 4' (CH) | 131.7 |
| 5' (CH) | 118.9 |
| 6' (CH) | 127.8 |
| 5a (CH3) | 55.7 |
| 6a (CH3) | 56.7 |
| 8a (CH3) | 60.6 |
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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.