Spektraris NMR
isobicyclogermacrenal
Common Name: isobicyclogermacrenal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O/c1-11-5-4-6-12(10-16)9-14-13(8-7-11)15(14,2)3/h5,9-10,13-14H,4,6-8H2,1-3H3/b11-5+,12-9+/t13-,14+/m0/s1
InChIKey: InChIKey=BLCUVJCHWZPQCX-UMDNKZHUSA-N
Formula: C15H22O1
Molecular Weight: 218.33514
Exact Mass: 218.167065
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tucker, D.J., Southwell, I.A., Lowe, R.F., Russell, M.F., Brereton, I.M. Magn Reson Chem (2007) 45, 1081-3
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bicyclogermacranes; 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) | 124.3 |
| 2 (CH2) | 27.9 |
| 3 (CH2) | 23.5 |
| 4 (C) | 143.3 |
| 5 (CH) | 156.1 |
| 6 (CH) | 29.7 |
| 7 (CH) | 38.4 |
| 8 (CH2) | 23.6 |
| 9 (CH2) | 40 |
| 10 (C) | 134.6 |
| 11 (C) | 21.3 |
| 12 (CH3) | 16.4 |
| 13 (CH3) | 28.5 |
| 14 (CH3) | 17.4 |
| 15 (CH) | 193.9 |
