Spektraris NMR
5-benzyloxy-4-methyl-2-(3-methylbut-2-en-1-yl)oxy-1-(1-methyl-1-hydroxybut-3-en-1-yl)benzene
Common Name: 5-benzyloxy-4-methyl-2-(3-methylbut-2-en-1-yl)oxy-1-(1-methyl-1-hydroxybut-3-en-1-yl)benzene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H30O3/c1-6-13-24(5,25)21-16-22(27-17-20-10-8-7-9-11-20)19(4)15-23(21)26-14-12-18(2)3/h6-12,15-16,25H,1,13-14,17H2,2-5H3
InChIKey: InChIKey=FUOYCNYITUVSCG-UHFFFAOYSA-N
Formula: C24H30O3
Molecular Weight: 366.494099
Exact Mass: 366.219495
NMR Solvent: CD3OD
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 : Others; 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) | 125 |
| 2 (C) | 149.8 |
| 3 (CH) | 118 |
| 4 (C) | 124.7 |
| 5 (C) | 149.2 |
| 6 (CH) | 115.1 |
| 7 (C) | 64 |
| 8 (CH2) | 48.4 |
| 1' (CH2) | 73.4 |
| 2' (C) | 134.6 |
| 3' (CH) | 127.6 |
| 4' (CH) | 127.8 |
| 5' (CH) | 127.6 |
| 6' (CH) | 127.8 |
| 7' (CH) | 127.6 |
| 2a (CH2) | 64.5 |
| 2b (CH) | 119.6 |
| 2c (C) | 137.9 |
| 2d (CH3) | 22.8 |
| 2ca (CH3) | 20.5 |
| 4a (CH3) | 16.6 |
| 7a (CH3) | 32.2 |
| 8a (CH) | 134.5 |
| 8b (CH2) | 119 |
