Spektraris NMR
(3S)-2,2,6alpha,9-Tetramethyl-3,4,5,6-tetrahydro-2H-1-benzoxocin-3beta,8-diol
Common Name: (3S)-2,2,6alpha,9-Tetramethyl-3,4,5,6-tetrahydro-2H-1-benzoxocin-3beta,8-diol
Synonyms: (3S)-2,2,6alpha,9-Tetramethyl-3,4,5,6-tetrahydro-2H-1-benzoxocin-3beta,8-diol
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-9-5-6-14(17)15(3,4)18-13-7-10(2)12(16)8-11(9)13/h7-9,14,16-17H,5-6H2,1-4H3/t9-,14-/m0/s1
InChIKey: InChIKey=FWVBSUZWRAYTJB-XPTSAGLGSA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
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) | 121.4 |
| 2 (C) | 150.9 |
| 3 (CH) | 127.1 |
| 4 (C) | 112.4 |
| 5 (C) | 145.8 |
| 6 (CH) | 127 |
| 7 (CH) | 32.1 |
| 8 (CH2) | 36.2 |
| 9 (CH2) | 23.2 |
| 10 (CH) | 82.9 |
| 11 (C) | 75.9 |
| 12 (CH3) | 23.2 |
| 13 (CH3) | 21.1 |
| 14 (CH3) | 25.8 |
| 15 (CH3) | 15.8 |
