Spektraris NMR
5150-31-2
Common Name: 5150-31-2
Synonyms: 5150-31-2
CAS Registry Number:
InChI: InChI=1S/C17H12O7/c1-21-17-15(20)14-10(19)5-9(18)6-13(14)24-16(17)8-2-3-11-12(4-8)23-7-22-11/h2-6,18-19H,7H2,1H3
InChIKey: InChIKey=BWGOSISPGLXOML-UHFFFAOYSA-N
Formula: C17H12O7
Molecular Weight: 328.273634
Exact Mass: 328.058303
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Calvert, D.J., Cambie, R.C., Davis, B.R. Org Magn Reson (1979) 12, 583-6
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) | 154.5 |
| 3 (C) | 138.3 |
| 4 (C) | 178 |
| 5 (C) | 161.5 |
| 6 (CH) | 98.8 |
| 7 (C) | 164.3 |
| 8 (CH) | 93.9 |
| 9 (C) | 156.5 |
| 10 (C) | 104.6 |
| 1' (C) | 123.9 |
| 2' (CH) | 107.9 |
| 3' (C) | 147.7 |
| 4' (C) | 149.4 |
| 5' (CH) | 108.3 |
| 6' (CH) | 123.3 |
| 3a (CH3) | 59.7 |
| 3'a (CH2) | 101.9 |
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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.