Spektraris NMR
2,2,6,9-Tetramethyl-8-(benzyloxy)-5,6-dihydro-2H-1-benzoxocin
Common Name: 2,2,6,9-Tetramethyl-8-(benzyloxy)-5,6-dihydro-2H-1-benzoxocin
Synonyms: 2,2,6,9-Tetramethyl-8-(benzyloxy)-5,6-dihydro-2H-1-benzoxocin
CAS Registry Number:
InChI: InChI=1S/C22H26O2/c1-16-9-8-12-22(3,4)24-21-13-17(2)20(14-19(16)21)23-15-18-10-6-5-7-11-18/h5-8,10-14,16H,9,15H2,1-4H3/b12-8-
InChIKey: InChIKey=ZTHCVZABWGDFBG-WQLSENKSSA-N
Formula: C22H26O2
Molecular Weight: 322.441459
Exact Mass: 322.19328
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 : Terpenoids, Type : Sesquiterpenoids, Group : Heliannanes; 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) | 128.9 |
| 2 (C) | 153.4 |
| 3 (CH) | 127.4 |
| 4 (C) | 127.1 |
| 5 (C) | 145.6 |
| 6 (CH) | 124.4 |
| 7 (CH) | 33.8 |
| 8 (CH2) | 40 |
| 9 (CH) | 134.9 |
| 10 (CH) | 137.5 |
| 11 (C) | 70 |
| 12 (CH3) | 29.3 |
| 13 (CH3) | 28.3 |
| 14 (CH3) | 33.7 |
| 15 (CH3) | 15.83 |
| 1' (CH2) | 80.7 |
| 2' (C) | 143.2 |
| 3' (CH) | 127.2 |
| 4' (CH) | 128.3 |
| 5' (CH) | 128.6 |
| 6' (CH) | 128.3 |
| 7' (CH) | 127.2 |
