Spektraris NMR
Populene A
Common Name: Populene A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O3/c1-7(2)12-9-4-8(3)5-11-13(9)10(6-18-11)14(16)15(12)17/h4-7,12,14-17H,1-3H3/t12-,14+,15+/m0/s1
InChIKey: InChIKey=MINGOCHWARMETQ-NWANDNLSSA-N
Formula: C15H18O3
Molecular Weight: 246.302187
Exact Mass: 246.125594
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) | 123.7 |
| 2 (C) | 153.5 |
| 3 (CH) | 109.3 |
| 4 (C) | 135.8 |
| 5 (CH) | 121.6 |
| 6 (C) | 131.4 |
| 7 (CH) | 49.8 |
| 8 (CH) | 75.7 |
| 9 (CH) | 70.5 |
| 10 (C) | 118.7 |
| 11 (CH) | 27.8 |
| 12 (CH3) | 20 |
| 13 (CH3) | 20.8 |
| 14 (CH3) | 22.4 |
| 15 (CH) | 138.8 |
