Spektraris NMR
Caffeoyl ester of apionic acid
Common Name: Caffeoyl ester of apionic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C14H16O9/c15-6-14(22,12(19)13(20)21)7-23-11(18)4-2-8-1-3-9(16)10(17)5-8/h1-5,12,15-17,19,22H,6-7H2,(H,20,21)/b4-2+
InChIKey: InChIKey=BMVREUNZOSAHNV-DUXPYHPUSA-N
Formula: C14H16O9
Molecular Weight: 328.271999
Exact Mass: 328.079432
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Braca, A., De Tommasi, N., Di Bari, L., Pizza, C., Politi, M., Morelli, I. J Nat Prod (2001) 64, 892-5
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) | 127.6 |
| 2 (CH) | 115.2 |
| 3 (C) | 146.9 |
| 4 (C) | 149.9 |
| 5 (CH) | 116.5 |
| 6 (CH) | 123.2 |
| 7 (CH) | 147.8 |
| 8 (CH) | 114.5 |
| 9 (C) | 168.6 |
| 1' (CH2) | 65.5 |
| 2' (C) | 77 |
| 3' (CH) | 71.4 |
| 4' (C) | 177.7 |
| 5' (CH2) | 73.9 |
