Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O9/c1-24-11-8-13(26-3)12(25-2)7-10(11)19-18(23)17(22)16-14(30-19)9-15(27-4)20(28-5)21(16)29-6/h7-9,23H,1-6H3
InChIKey: InChIKey=BFZXSWVKRCJDQF-UHFFFAOYSA-N
Formula: C21H22O9
Molecular Weight: 418.394795
Exact Mass: 418.126382
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) | 143.2 |
| 3 (C) | 138.2 |
| 4 (C) | 171.5 |
| 5 (C) | 152.6 |
| 6 (C) | 139.9 |
| 7 (C) | 158 |
| 8 (CH) | 96.2 |
| 9 (C) | 154.4 |
| 10 (C) | 113.8 |
| 1' (C) | 110.3 |
| 2' (C) | 151.8 |
| 3' (CH) | 98.3 |
| 4' (C) | 152.6 |
| 5' (C) | 143.2 |
| 6' (CH) | 110 |
| 5a (CH3) | 61.6 |
| 6a (CH3) | 56.1 |
| 7a (CH3) | 62.2 |
| 2'a (CH3) | 56.3 |
| 4'a (CH3) | 56.7 |
| 5'a (CH3) | 57.1 |
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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.