Spektraris NMR
6-[2-(Furan-3-yl)ethyl]-1,5,6-trimethyl-10-oxatricyclo-[7.2.1.02,7]dodec-2(7)-en-11-one
![6-[2-(Furan-3-yl)ethyl]-1,5,6-trimethyl-10-oxatricyclo-[7.2.1.02,7]dodec-2(7)-en-11-one](/nmr/static/nmr/svg/1875.svg)
Common Name: 6-[2-(Furan-3-yl)ethyl]-1,5,6-trimethyl-10-oxatricyclo-[7.2.1.02,7]dodec-2(7)-en-11-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O3/c1-13-4-5-16-17(10-15-11-20(16,3)18(21)23-15)19(13,2)8-6-14-7-9-22-12-14/h7,9,12-13,15H,4-6,8,10-11H2,1-3H3/t13-,15+,19+,20+/m1/s1
InChIKey: InChIKey=FDUDLSYSEPOLKN-VGJAGTOYSA-N
Formula: C20H26O3
Molecular Weight: 314.419392
Exact Mass: 314.188195
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kanlayavattanakul, M., Ruangrungsi, N., Watanabe, T., Kawahata, M., Therrien, B., Yamaguchi, K., Ishikawa, T. J Nat Prod (2005) 68, 7-10
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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 (CH2) | 31.2 |
| 2 (CH) | 74.4 |
| 3 (CH2) | 41.2 |
| 4 (C) | 43.5 |
| 5 (C) | 133.5 |
| 6 (CH2) | 24.5 |
| 7 (CH2) | 26.2 |
| 8 (CH) | 32.4 |
| 9 (C) | 39.9 |
| 10 (C) | 133.9 |
| 11 (CH2) | 37.9 |
| 12 (CH2) | 19.1 |
| 13 (C) | 125.3 |
| 14 (CH) | 110.9 |
| 15 (CH) | 142.7 |
| 16 (CH) | 138.5 |
| 17 (CH3) | 15.7 |
| 18 (C) | 178.8 |
| 19 (CH3) | 17 |
| 20 (CH3) | 21.4 |
