Spektraris NMR
Acetophenone-2-O-b-D-glucopyranoside
Common Name: Acetophenone-2-O-b-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C14H18O7/c1-7(16)8-4-2-3-5-9(8)20-14-13(19)12(18)11(17)10(6-15)21-14/h2-5,10-15,17-19H,6H2,1H3/t10-,11-,12+,13-,14-/m1/s1
InChIKey: InChIKey=DEVVKVWCFXPLGG-RKQHYHRCSA-N
Formula: C14H18O7
Molecular Weight: 298.289071
Exact Mass: 298.105253
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Lendl, A., Werner, I., Glasl, S., Kletter, C., Mucaji, P., Presser, A., Reznicek, G., Jurenitsch, J., Taylor, D.W. Phytochemistry (2005) 66, 2381-7
Species:
Notes: Family : Aromatics, Type : Acetophenones; 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) | 130.6 |
| 2 (C) | 158.4 |
| 3 (CH) | 117.6 |
| 4 (CH) | 135.3 |
| 5 (CH) | 123.6 |
| 6 (CH) | 131.1 |
| 7 (C) | 202.9 |
| 8 (CH3) | 32.5 |
| 1' (CH) | 102.7 |
| 2' (CH) | 75.2 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.5 |
| 5' (CH) | 78.6 |
| 6' (CH2) | 62.8 |
