Spektraris NMR
4-O-beta-D-glucosyl-4-coumaric acid
Common Name: 4-O-beta-D-glucosyl-4-coumaric acid
Synonyms: 4-O-beta-D-glucosyl-4-coumaric acid
CAS Registry Number:
InChI: InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3+/t10-,12-,13+,14-,15-/m1/s1
InChIKey: InChIKey=LJFYQZQUAULRDF-FDGSXQGBSA-N
Formula: C15H18O8
Molecular Weight: 326.299211
Exact Mass: 326.100168
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Foo, L.Y., Lu, Y., Molan, A.L., Woodfield, D.R., McNabb, W.C. Phytochemistry (2000) 54, 539-48
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylpropanoids; 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) | 129.1 |
| 2 (CH) | 130.5 |
| 3 (CH) | 117 |
| 4 (C) | 158.8 |
| 5 (CH) | 117 |
| 6 (CH) | 130.5 |
| 7 (CH) | 146 |
| 8 (CH) | 116 |
| 9 (C) | 171.2 |
| 1' (CH) | 100.2 |
| 2' (CH) | 73.3 |
| 3' (CH) | 76.5 |
| 4' (CH) | 69.8 |
| 5' (CH) | 75.9 |
| 6' (CH2) | 61 |
