Spektraris NMR
Populene E
Common Name: Populene E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O4/c1-7(2)13(17)10-5-9(4)14(18)15-12(10)8(3)6-11(16)19-15/h5,7-8,18H,6H2,1-4H3
InChIKey: InChIKey=WAXFSCBPKDNRDM-UHFFFAOYSA-N
Formula: C15H18O4
Molecular Weight: 262.301592
Exact Mass: 262.120509
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Boonsri, S., Karalai, C., Ponglimanont, C., Chantrapromma, S., Kanjana-opas, A. J Nat Prod (2008) 71, 1173-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Calamenenes; 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) | 127.9 |
| 2 (C) | 139.2 |
| 3 (C) | 145.4 |
| 4 (C) | 123.5 |
| 5 (CH) | 127.8 |
| 6 (C) | 126.2 |
| 7 (C) | 205.8 |
| 8 (C) | 167.4 |
| 9 (CH2) | 36.3 |
| 10 (CH) | 27.5 |
| 11 (CH) | 37.2 |
| 12 (CH3) | 19.4 |
| 13 (CH3) | 19 |
| 14 (CH3) | 15.5 |
| 15 (CH3) | 20.2 |
