Spektraris NMR
Acetophenone-2-O-[b-D-apiofuranosyl-1''-->6'-O-b-D-glucopyranoside]
![Acetophenone-2-O-[b-D-apiofuranosyl-1''-->6'-O-b-D-glucopyranoside]](/nmr/static/nmr/svg/11917.svg)
Common Name: Acetophenone-2-O-[b-D-apiofuranosyl-1''-->6'-O-b-D-glucopyranoside]
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O11/c1-9(21)10-4-2-3-5-11(10)29-17-15(24)14(23)13(22)12(30-17)6-27-18-16(25)19(26,7-20)8-28-18/h2-5,12-18,20,22-26H,6-8H2,1H3/t12-,13-,14+,15-,16+,17-,18-,19-/m1/s1
InChIKey: InChIKey=MOCIAIDZINCTPL-OTCFHACESA-N
Formula: C19H26O11
Molecular Weight: 430.403896
Exact Mass: 430.147512
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) | 130.8 |
| 2 (C) | 158.4 |
| 3 (CH) | 117.9 |
| 4 (CH) | 135.4 |
| 5 (CH) | 123.7 |
| 6 (CH) | 131.1 |
| 7 (C) | 202.8 |
| 8 (CH3) | 32.5 |
| 1' (CH) | 102.9 |
| 2' (CH) | 75.2 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.8 |
| 5' (CH) | 77.5 |
| 6' (CH2) | 69.1 |
| 1'' (CH) | 111.3 |
| 2'' (CH) | 78.3 |
| 3'' (C) | 80.8 |
| 4'' (CH2) | 75.3 |
| 5'' (CH2) | 65.8 |
