Spektraris NMR
trans-coumaroyl-b-D-glucopyranoside
Common Name: trans-coumaroyl-b-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H20O8/c1-22-16-15(21)14(20)13(19)11(24-16)8-23-12(18)7-4-9-2-5-10(17)6-3-9/h2-7,11,13-17,19-21H,8H2,1H3/b7-4+/t11-,13-,14+,15-,16-/m1/s1
InChIKey: InChIKey=FDKJBXIGTBNKPD-ORXIWHNOSA-N
Formula: C16H20O8
Molecular Weight: 340.325829
Exact Mass: 340.115818
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Lu, Y., Sun, Y., Foo, L.Y., McNabb, W.C., Molan, A.L. Phytochemistry (2000) 55, 67-75
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) | 127.57 |
| 2 (CH) | 131.6 |
| 3 (CH) | 117.26 |
| 4 (C) | 161.69 |
| 5 (CH) | 117.26 |
| 6 (CH) | 131.6 |
| 7 (CH) | 147.21 |
| 8 (CH) | 115.36 |
| 9 (C) | 169.56 |
| 1' (CH) | 105.83 |
| 2' (CH) | 75.43 |
| 3' (CH) | 78.31 |
| 4' (CH) | 72.1 |
| 5' (CH) | 75.86 |
| 6' (CH2) | 65.02 |
| 1'a (CH3) | 57.71 |
