Spektraris NMR
4-Acetylphenyl 6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranoside
Common Name: 4-Acetylphenyl 6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranoside
Synonyms: 4-Acetylphenyl 6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranoside
CAS Registry Number:
InChI: InChI=1S/C19H26O11/c1-9(21)10-2-4-11(5-3-10)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=YESNEZCTDYCURG-OTCFHACESA-N
Formula: C19H26O11
Molecular Weight: 430.403896
Exact Mass: 430.147512
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Lu, Y., Foo, L.Y. Phytochemistry (2000) 55, 263-7
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylethanoids; 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) | 133.08 |
| 2 (CH) | 132.2 |
| 3 (CH) | 117.79 |
| 4 (C) | 163.41 |
| 5 (CH) | 117.79 |
| 6 (CH) | 132.2 |
| 7 (C) | 200.39 |
| 8 (CH3) | 27.01 |
| 1' (CH) | 101.94 |
| 2' (CH) | 75.17 |
| 3' (CH) | 78.43 |
| 4' (CH) | 71.92 |
| 5' (CH) | 77.55 |
| 6' (CH2) | 69.21 |
| 1'' (CH) | 111.37 |
| 2'' (CH) | 78.26 |
| 3'' (C) | 80.92 |
| 4'' (CH2) | 75.37 |
| 5'' (CH2) | 65.86 |
