Spektraris NMR
Scandione
Common Name: Scandione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H12O7/c1-21-8-2-3-9(11(17)4-8)15(19)16(20)10-5-13-14(6-12(10)18)23-7-22-13/h2-6,17-18H,7H2,1H3
InChIKey: InChIKey=LIBXIJWGDDLJBP-UHFFFAOYSA-N
Formula: C16H12O7
Molecular Weight: 316.262898
Exact Mass: 316.058303
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mahabusarakam, W., Deachathai, S., Phongpaichit, S., Jansakul, C., Taylor, W.C. Phytochemistry (2004) 65, 1185-91
Species:
Notes: Family : Aromatics, Type : Stilbenes; 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 |
|---|---|
| 1 (C) | 111.02 |
| 2 (C) | 167.4 |
| 3 (CH) | 101.31 |
| 4 (C) | 168.34 |
| 5 (CH) | 109.25 |
| 6 (CH) | 134.32 |
| α (C) | 194.84 |
| β (C) | 194.4 |
| 1' (C) | 109.58 |
| 2' (C) | 164.84 |
| 3' (CH) | 99.11 |
| 4' (C) | 156.86 |
| 5' (C) | 141.63 |
| 6' (CH) | 108.02 |
| 1'''' (CH3) | 55.72 |
| 4'a (CH2) | 102.54 |
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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.