Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H12O8/c1-21-18-15(20)13-11(5-12-17(14(13)19)25-7-24-12)26-16(18)8-2-3-9-10(4-8)23-6-22-9/h2-5,19H,6-7H2,1H3
InChIKey: InChIKey=LZXUYKURYSMKTN-UHFFFAOYSA-N
Formula: C18H12O8
Molecular Weight: 356.283775
Exact Mass: 356.053217
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) | 138.4 |
| 4 (C) | 178.4 |
| 5 (C) | 152 |
| 6 (C) | 129.3 |
| 7 (C) | 152.8 |
| 8 (CH) | 90.9 |
| 9 (C) | 155.1 |
| 10 (C) | 107.9 |
| 1' (C) | 123.8 |
| 2' (CH) | 107.9 |
| 3' (C) | 147.7 |
| 4' (C) | 149.5 |
| 5' (CH) | 108.4 |
| 6' (CH) | 123.2 |
| 3a (CH3) | 59.7 |
| 6a (CH2) | 101.7 |
| 3'a (CH2) | 102.3 |
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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.