Spektraris NMR
(6R)-6alpha-Ethenyl-5,6,7,7abeta-tetrahydro-7beta-isopropenyl-3,6-dimethylbenzofuran-2(4H)-one
Common Name: (6R)-6alpha-Ethenyl-5,6,7,7abeta-tetrahydro-7beta-isopropenyl-3,6-dimethylbenzofuran-2(4H)-one
Synonyms: (6R)-6alpha-Ethenyl-5,6,7,7abeta-tetrahydro-7beta-isopropenyl-3,6-dimethylbenzofuran-2(4H)-one
CAS Registry Number:
InChI: InChI=1S/C15H20O2/c1-6-15(5)8-7-11-10(4)14(16)17-13(11)12(15)9(2)3/h6,12-13H,1-2,7-8H2,3-5H3/t12-,13+,15-/m0/s1
InChIKey: InChIKey=GXRBKDQCWNWEHB-GUTXKFCHSA-N
Formula: C15H20O2
Molecular Weight: 232.318663
Exact Mass: 232.14633
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garzon, S.P., Rodriguez, A.D., Sanchez, J.A., Ortega-Barria, E. J Nat Prod (2005) 68, 1354-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Elemanes; 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 (CH) | 146.2 |
| 2 (CH2) | 111.9 |
| 3 (CH2) | 114.6 |
| 4 (C) | 141.6 |
| 5 (CH) | 59 |
| 6 (CH) | 80.6 |
| 7 (C) | 161.6 |
| 8 (CH2) | 22.6 |
| 9 (CH2) | 39.1 |
| 10 (C) | 41.3 |
| 11 (C) | 120 |
| 12 (C) | 174.6 |
| 13 (CH3) | 8.3 |
| 14 (CH3) | 16.9 |
| 15 (CH3) | 24.7 |
