Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O9/c1-24-11-7-10(21)12(25-2)6-9(11)18-17(23)16(22)15-13(29-18)8-14(26-3)19(27-4)20(15)28-5/h6-8,21,23H,1-5H3
InChIKey: InChIKey=REGHQAQHCCGHPJ-UHFFFAOYSA-N
Formula: C20H20O9
Molecular Weight: 404.368177
Exact Mass: 404.110732
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Iinuma, M., Matoba, Y., Tanaka, T., Mizuno, M. Chem Pharm Bull (1986) 34, 1656-62
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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) | 140.6 |
| 3 (C) | 138.1 |
| 4 (C) | 171.5 |
| 5 (C) | 154 |
| 6 (C) | 139.8 |
| 7 (C) | 158 |
| 8 (CH) | 96.2 |
| 9 (C) | 154.3 |
| 10 (C) | 110.2 |
| 1' (C) | 108.4 |
| 2' (C) | 152.9 |
| 3' (CH) | 100.5 |
| 4' (C) | 151.9 |
| 5' (C) | 140.6 |
| 6' (CH) | 110.2 |
| 5a (CH3) | 61.5 |
| 6a (CH3) | 56.3 |
| 7a (CH3) | 62.5 |
| 2'a (CH3) | 56.4 |
| 5'a (CH3) | 56.6 |
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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.