Spektraris NMR
AVA-36
Common Name: AVA-36
Synonyms: AVA-36
CAS Registry Number:
InChI: InChI=1S/C21H20O8/c1-11(22)28-21-19-13(23)9-15(12-6-7-14(24-2)16(8-12)25-3)29-17(19)10-18(26-4)20(21)27-5/h6-10H,1-5H3
InChIKey: InChIKey=ONUXWYQXLLRJIT-UHFFFAOYSA-N
Formula: C21H20O8
Molecular Weight: 400.379508
Exact Mass: 400.115818
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Maldonado, E., Ortega, A. Phytochemistry (1997) 46, 1249-54
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) | 107.2 |
| 4 (C) | 176.6 |
| 5 (C) | 139.6 |
| 6 (C) | 142.2 |
| 7 (C) | 157.7 |
| 8 (CH) | 98.2 |
| 9 (C) | 154.1 |
| 10 (C) | 111.2 |
| 1' (C) | 124 |
| 2' (CH) | 108.7 |
| 3' (C) | 149.3 |
| 4' (C) | 152 |
| 5' (CH) | 111.2 |
| 6' (CH) | 119.8 |
| 5a (C) | 169.6 |
| 5b (CH3) | 21 |
| 6a (CH3) | 61.6 |
| 7a (CH3) | 56.4 |
| 3'a (CH3) | 56.1 |
| 4'a (CH3) | 56 |
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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.