Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O9/c1-24-10-7-12(26-3)11(25-2)6-9(10)19-18(23)16(21)15-13(29-19)8-14(27-4)20(28-5)17(15)22/h6-8,22-23H,1-5H3
InChIKey: InChIKey=IHUWZFSUEGEEEJ-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) | 143.7 |
| 3 (C) | 136.6 |
| 4 (C) | 175.8 |
| 5 (C) | 151.8 |
| 6 (C) | 132.4 |
| 7 (C) | 159.4 |
| 8 (CH) | 90.8 |
| 9 (C) | 159 |
| 10 (C) | 105.1 |
| 1' (C) | 110.8 |
| 2' (C) | 151.8 |
| 3' (CH) | 98.2 |
| 4' (C) | 152.2 |
| 5' (C) | 143.7 |
| 6' (CH) | 110 |
| 6a (CH3) | 56 |
| 7a (CH3) | 60.9 |
| 2'a (CH3) | 56.2 |
| 4'a (CH3) | 56.3 |
| 5'a (CH3) | 56.7 |
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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.