Spektraris NMR
2-O-Acetyl-trans-coutaric acid
Common Name: 2-O-Acetyl-trans-coutaric acid
Synonyms: 2-O-Acetyl-trans-coutaric acid
CAS Registry Number:
InChI: InChI=1S/C15H14O9/c1-8(16)23-12(14(19)20)13(15(21)22)24-11(18)7-4-9-2-5-10(17)6-3-9/h2-7,12-13,17H,1H3,(H,19,20)(H,21,22)/b7-4+
InChIKey: InChIKey=AILCSCQIQZTQJR-QPJJXVBHSA-N
Formula: C15H14O9
Molecular Weight: 338.266853
Exact Mass: 338.063782
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Bergman, M., Varshavsky, L., Gottlieb, H.E., Grossman, S. Phytochemistry (2001) 58, 143-52
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) | 127.2 |
| 2 (CH) | 131.4 |
| 3 (CH) | 116.9 |
| 4 (C) | 161.4 |
| 5 (CH) | 116.9 |
| 6 (CH) | 131.4 |
| 7 (CH) | 147.7 |
| 8 (CH) | 114.4 |
| 9 (C) | 168.2 |
| 1' (C) | 170.1 |
| 2' (CH) | 73.3 |
| 3' (CH) | 73.7 |
| 4' (C) | 170.6 |
| 3'a (C) | 20.7 |
| 3'b (CH3) | 171.5 |
