Spektraris NMR
2,2,6,9-Tetramethyl-8-(benzyloxy)-5,6-dihydro-2H-1-benzoxocin-6-ol
Common Name: 2,2,6,9-Tetramethyl-8-(benzyloxy)-5,6-dihydro-2H-1-benzoxocin-6-ol
Synonyms: 2,2,6,9-Tetramethyl-8-(benzyloxy)-5,6-dihydro-2H-1-benzoxocin-6-ol
CAS Registry Number:
InChI: InChI=1S/C22H26O3/c1-16-13-20-18(22(4,23)12-8-11-21(2,3)25-20)14-19(16)24-15-17-9-6-5-7-10-17/h5-11,13-14,23H,12,15H2,1-4H3/b11-8-
InChIKey: InChIKey=ALBGVNTYAJEREO-FLIBITNWSA-N
Formula: C22H26O3
Molecular Weight: 338.440864
Exact Mass: 338.188195
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) | 126.2 |
| 2 (C) | 153.6 |
| 3 (CH) | 126.7 |
| 4 (C) | 127.6 |
| 5 (C) | 151.4 |
| 6 (CH) | 110.6 |
| 7 (C) | 70 |
| 8 (CH2) | 40.5 |
| 9 (CH) | 128.8 |
| 10 (CH) | 137.2 |
| 11 (C) | 77.1 |
| 12 (CH3) | 29.5 |
| 13 (CH3) | 27.9 |
| 14 (CH3) | 33 |
| 15 (CH3) | 16 |
| 1' (CH2) | 81.7 |
| 2' (C) | 143.2 |
| 3' (CH) | 127.2 |
| 4' (CH) | 128.3 |
| 5' (CH) | 128.6 |
| 6' (CH) | 128.3 |
| 7' (CH) | 127.2 |
