Spektraris NMR
Aristolochene
Common Name: Aristolochene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12-,13-,15+/m0/s1
InChIKey: InChIKey=YONHOSLUBQJXPR-KCQAQPDRSA-N
Formula: C15H24
Molecular Weight: 204.351617
Exact Mass: 204.187801
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Demyttenaere, J.C., Adams, A., Van Belleghem, K., De Kimpe, N., Konig, W.A., Tkachev, A.V. Phytochemistry (2002) 59, 597-602
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) | 32.5 |
| 2 (CH2) | 27.7 |
| 3 (CH2) | 31.2 |
| 4 (CH) | 37.7 |
| 5 (C) | 38.7 |
| 6 (CH2) | 43.2 |
| 7 (CH) | 44.1 |
| 8 (CH2) | 29.6 |
| 9 (CH) | 118.7 |
| 10 (C) | 144.5 |
| 11 (C) | 150.5 |
| 12 (CH3) | 20.7 |
| 13 (CH2) | 108.2 |
| 14 (CH3) | 18 |
| 15 (CH3) | 15.6 |
