Spektraris NMR
Valeriene
Common Name: Valeriene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-14(2)11-6-7-15(3)13(17-15)5-4-10(9-16)8-12(11)14/h8-9,11-13H,4-7H2,1-3H3/b10-8-/t11-,12+,13-,15+/m0/s1
InChIKey: InChIKey=ZWFIFCRKFITASO-AGWQOVQLSA-N
Formula: C15H22O2
Molecular Weight: 234.334545
Exact Mass: 234.16198
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Huang, B.K., Qin, L.P., Liu, Y.M., Zhang, Q.Y., Zheng, H.C. Chem Nat Compd (2009) 45, 363-6
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) | 61.3 |
| 2 (CH2) | 27.4 |
| 3 (CH2) | 19.5 |
| 4 (C) | 142.8 |
| 5 (CH) | 155.2 |
| 6 (CH) | 28.3 |
| 7 (CH) | 37.9 |
| 8 (CH2) | 39.4 |
| 9 (CH2) | 21.2 |
| 10 (C) | 59.1 |
| 11 (C) | 23.4 |
| 12 (CH3) | 15.1 |
| 13 (CH3) | 27.6 |
| 14 (CH3) | 16.8 |
| 15 (CH) | 193.8 |
