Spektraris NMR
alpha,4-Dimethyl-alpha-allyl-2-(1,1-dimethyl-2-propynyloxy)-5-(benzyloxy)benzenemethanol
Common Name: alpha,4-Dimethyl-alpha-allyl-2-(1,1-dimethyl-2-propynyloxy)-5-(benzyloxy)benzenemethanol
Synonyms: alpha,4-Dimethyl-alpha-allyl-2-(1,1-dimethyl-2-propynyloxy)-5-(benzyloxy)benzenemethanol
CAS Registry Number:
InChI: InChI=1S/C24H28O3/c1-7-14-24(6,25)20-16-21(26-17-19-12-10-9-11-13-19)18(3)15-22(20)27-23(4,5)8-2/h2,7,9-13,15-16,25H,1,14,17H2,3-6H3
InChIKey: InChIKey=HNBBBNFGZXKNEU-UHFFFAOYSA-N
Formula: C24H28O3
Molecular Weight: 364.478217
Exact Mass: 364.203845
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) | 125.5 |
| 2 (C) | 150.5 |
| 3 (CH) | 117.5 |
| 4 (C) | 125.5 |
| 5 (C) | 147.2 |
| 6 (CH) | 111.6 |
| 7 (C) | 60.9 |
| 8 (CH2) | 46.9 |
| 1' (CH2) | 74 |
| 2' (C) | 137.6 |
| 3' (CH) | 128.3 |
| 4' (CH) | 127.3 |
| 5' (CH) | 127.6 |
| 6' (CH) | 127.3 |
| 7' (CH) | 128.3 |
| 2a (C) | 71.7 |
| 2b (C) | 86.1 |
| 2c (CH) | 74.1 |
| 2d (CH3) | 29.7 |
| 2e (CH3) | 29.6 |
| 4a (CH3) | 16.2 |
| 7a (CH3) | 27.6 |
| 8a (CH) | 134.4 |
| 8b (CH2) | 117.9 |
