Spektraris NMR
2-(beta-D-Glucopyranosyloxy)benzeneacetic acid
Common Name: 2-(beta-D-Glucopyranosyloxy)benzeneacetic acid
Synonyms: 2-(beta-D-Glucopyranosyloxy)benzeneacetic acid
CAS Registry Number:
InChI: InChI=1S/C14H18O8/c15-6-9-11(18)12(19)13(20)14(22-9)21-8-4-2-1-3-7(8)5-10(16)17/h1-4,9,11-15,18-20H,5-6H2,(H,16,17)/t9-,11-,12+,13-,14-/m1/s1
InChIKey: InChIKey=XEYDWXMYBFXGFT-RGCYKPLRSA-N
Formula: C14H18O8
Molecular Weight: 314.288476
Exact Mass: 314.100168
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Zhang, Y.J., Tanaka, T., Iwamoto, Y., Yang, C.R., Kouno, I. J Nat Prod (2001) 64, 870-3
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) | 126.8 |
| 2 (C) | 157.2 |
| 3 (CH) | 116.6 |
| 4 (CH) | 123.5 |
| 5 (CH) | 129.5 |
| 6 (CH) | 132.1 |
| 7 (CH2) | 38 |
| 8 (C) | 177.6 |
| 1' (CH) | 103.2 |
| 2' (CH) | 74.9 |
| 3' (CH) | 78.1 |
| 4' (CH) | 71.3 |
| 5' (CH) | 77.7 |
| 6' (CH2) | 62.5 |
