Spektraris NMR
(1R,2S,5R,8S)-2-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yloxy)phenol
![(1R,2S,5R,8S)-2-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yloxy)phenol](/nmr/static/nmr/svg/13981.svg)
Common Name: (1R,2S,5R,8S)-2-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yloxy)phenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O2/c1-19(2)13-16-15(19)9-12-20(3)10-6-11-21(16,14-20)23-18-8-5-4-7-17(18)22/h4-5,7-8,15-16,22H,6,9-14H2,1-3H3/t15-,16+,20-,21+/m1/s1
InChIKey: InChIKey=NGKYFDOEIZWCNC-XTCWOQMQSA-N
Formula: C21H30O2
Molecular Weight: 314.462486
Exact Mass: 314.22458
NMR Solvent: T+C
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) | 82.08 |
| 2 (CH) | 41.51 |
| 3 (CH2) | 37.47 |
| 4 (C) | 34.97 |
| 5 (CH) | 45.82 |
| 6 (CH2) | 22.69 |
| 7 (CH2) | 37.77 |
| 8 (C) | 35.23 |
| 9 (CH2) | 37.02 |
| 10 (CH2) | 21.1 |
| 11 (CH2) | 34.91 |
| 12 (CH2) | 47.52 |
| 13 (CH3) | 21.1 |
| 14 (CH3) | 30.71 |
| 15 (CH3) | 33.68 |
| 1a (C) | 149.6 |
| 1b (C) | 142.31 |
| 1c (CH) | 118.96 |
| 1d (CH) | 121.01 |
| 1e (CH) | 122.92 |
| 1f (CH) | 114.93 |
