Spektraris NMR
Compound 4
Common Name: Compound 4
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O3/c1-6-21(4,5)24-20-12-15(2)19(13-18(20)16(3)22)23-14-17-10-8-7-9-11-17/h1,7-13H,14H2,2-5H3
InChIKey: InChIKey=CWWBJDYTFPGMOZ-UHFFFAOYSA-N
Formula: C21H22O3
Molecular Weight: 322.398365
Exact Mass: 322.156895
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Macias, F.A., Chinchilla, D., Molinillo, J.M.G., Fronczek, F.R., Shishido, K. Tetrahedron (2008) 64, 5502-8
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylethanoids; 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) | 131 |
| 2 (C) | 152.4 |
| 3 (CH) | 124 |
| 4 (C) | 132.5 |
| 5 (C) | 148.5 |
| 6 (CH) | 111.5 |
| 7 (C) | 200 |
| 8 (CH3) | 31.6 |
| 1' (CH2) | 73.8 |
| 2' (C) | 137.1 |
| 3' (CH) | 127.2 |
| 4' (CH) | 128.4 |
| 5' (CH) | 127.7 |
| 6' (CH) | 128.4 |
| 7' (CH) | 127.2 |
| 2a (C) | 70.1 |
| 2b (C) | 85.5 |
| 2c (CH) | 74.9 |
| 2d (CH3) | 29.6 |
| 2e (CH3) | 29.6 |
| 4a (CH3) | 16.7 |
