Spektraris NMR
Aduncumene
Common Name: Aduncumene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C14H16O4/c1-9(2)7-12(15)10-5-6-13(17-3)11(8-10)14(16)18-4/h5-8H,1-4H3
InChIKey: InChIKey=PHPCTTJFNKISSP-UHFFFAOYSA-N
Formula: C14H16O4
Molecular Weight: 248.274974
Exact Mass: 248.104859
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lago, J.H., Ramos, C.S., Casanova, D.C., Morandim Ade, A., Bergamo, D.C., Cavalheiro, A.J., Bolzani Vda, S., Furlan, M., Guimaraes, E.F., Young, M.C., Kato, M.J. J Nat Prod (2004) 67, 1783-8
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylisoprenoids; 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 (C) | 111.4 |
| 2 (CH) | 122.9 |
| 3 (C) | 161.2 |
| 4 (C) | 132 |
| 5 (CH) | 131.2 |
| 6 (CH) | 134.1 |
| 7 (C) | 192.7 |
| 8 (CH) | 125.1 |
| 9 (C) | 156.7 |
| 10 (CH3) | 21.6 |
| 11 (CH3) | 28.3 |
| 3a (C) | 166.6 |
| 3b (CH3) | 52.2 |
| 4a (CH3) | 56.2 |
