Spektraris NMR
(1R,2S,5R,8S)-4,4,8-Trimethyl-1-phenoxytricyclo[6.3.1.02,5]dodecane
![(1R,2S,5R,8S)-4,4,8-Trimethyl-1-phenoxytricyclo[6.3.1.02,5]dodecane](/nmr/static/nmr/svg/13975.svg)
Common Name: (1R,2S,5R,8S)-4,4,8-Trimethyl-1-phenoxytricyclo[6.3.1.02,5]dodecane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O/c1-19(2)14-18-17(19)10-13-20(3)11-7-12-21(18,15-20)22-16-8-5-4-6-9-16/h4-6,8-9,17-18H,7,10-15H2,1-3H3/t17-,18+,20-,21+/m1/s1
InChIKey: InChIKey=KFMSDSUCLGCEIS-JYRKZWEQSA-N
Formula: C21H30O1
Molecular Weight: 298.463081
Exact Mass: 298.229666
NMR Solvent: T+A
MHz:
Calibration:
NMR references: 13C - Fomenko, V.V., Korchagina, D.V., Salakhutdinov, N.F., Barkhash, V.A. Helv Chim Acta (2001) 84, 3477-87
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Caryolanes; 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) | 80.11 |
| 2 (CH) | 41.93 |
| 3 (CH2) | 37.86 |
| 4 (C) | 34.77 |
| 5 (CH) | 45.76 |
| 6 (CH2) | 22.88 |
| 7 (CH2) | 38.03 |
| 8 (C) | 35.01 |
| 9 (CH2) | 36.97 |
| 10 (CH2) | 21.08 |
| 11 (CH2) | 35.36 |
| 12 (CH2) | 47.54 |
| 13 (CH3) | 21.22 |
| 14 (CH3) | 30.7 |
| 15 (CH3) | 33.75 |
| 1a (C) | 155.86 |
| 1b (CH) | 121.98 |
| 1c (CH) | 128.65 |
| 1d (CH) | 121.55 |
| 1e (CH) | 128.65 |
| 1f (CH) | 121.98 |
