Spektraris NMR
5-O-p-coumaroyl quinic acid methyl ester
Common Name: 5-O-p-coumaroyl quinic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H20O8/c1-24-16(22)17(23)8-12(19)15(21)13(9-17)25-14(20)7-4-10-2-5-11(18)6-3-10/h2-7,12-13,15,18-19,21,23H,8-9H2,1H3/b7-4+/t12-,13-,15+,17-/m0/s1
InChIKey: InChIKey=WZYLCZULUZFCHF-HEWGATGBSA-N
Formula: C17H20O8
Molecular Weight: 352.336565
Exact Mass: 352.115818
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Sadhu, S.K., Okuyama, E., Fujimoto, H., Ishibashi, M., Yesilada, E. J Ethnopharmacol (2006) 108, 371-8
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) | 127.4 |
| 2 (CH) | 131.1 |
| 3 (CH) | 116.8 |
| 4 (C) | 161.2 |
| 5 (CH) | 116.8 |
| 6 (CH) | 131.1 |
| 7 (CH) | 146.5 |
| 8 (CH) | 115.9 |
| 9 (C) | 168.9 |
| 1' (CH) | 72.6 |
| 2' (CH) | 73.9 |
| 3' (CH) | 68.6 |
| 4' (CH2) | 36.4 |
| 5' (C) | 75.3 |
| 6' (CH2) | 40.9 |
| 7' (C) | 176.5 |
| 7'a (CH3) | 52.8 |
