Spektraris NMR
Populene D
Common Name: Populene D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H24O3/c1-9-7-13-14(11(3)8-21-18(13,4)5)12-6-10(2)16(19)17(20)15(9)12/h6,9,11,19-20H,7-8H2,1-5H3/t9-,11+/m1/s1
InChIKey: InChIKey=YOBSVKZWAVNACF-KOLCDFICSA-N
Formula: C18H24O3
Molecular Weight: 288.382039
Exact Mass: 288.172545
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) | 125.2 |
| 2 (C) | 140.3 |
| 3 (C) | 140.9 |
| 4 (C) | 121 |
| 5 (CH) | 117 |
| 6 (C) | 125 |
| 7 (C) | 128.7 |
| 8 (C) | 132.2 |
| 9 (CH2) | 31 |
| 10 (CH) | 25.2 |
| 11 (CH) | 28.4 |
| 12 (CH2) | 65.7 |
| 13 (CH3) | 17.6 |
| 14 (CH3) | 15.8 |
| 15 (CH3) | 17.9 |
| 1' (C) | 75 |
| 2' (CH3) | 23.6 |
| 3' (CH3) | 27.6 |
