Spektraris NMR
5-p-trans-Coumaroylquinic acid
Common Name: 5-p-trans-Coumaroylquinic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1
InChIKey: InChIKey=BMRSEYFENKXDIS-OTCYKTEZSA-N
Formula: C16H18O8
Molecular Weight: 338.309947
Exact Mass: 338.100168
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) | 127.7 |
| 2 (CH) | 131.69 |
| 3 (CH) | 117.31 |
| 4 (C) | 161.48 |
| 5 (CH) | 117.31 |
| 6 (CH) | 131.69 |
| 7 (CH) | 147.34 |
| 8 (CH) | 115.68 |
| 9 (C) | 169.38 |
| 1' (CH) | 72.43 |
| 2' (CH2) | 38.56 |
| 3' (C) | 76.6 |
| 4' (CH2) | 39.14 |
| 5' (CH) | 73.82 |
| 6' (CH) | 71.66 |
| 7' (C) | 177.64 |
