Spektraris NMR
Lappalone
Common Name: Lappalone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H22O4/c1-9-5-7-13-15(14-10(2)4-6-12(9)14)21-16(19)17(13,20)8-11(3)18/h12-15,20H,1-2,4-8H2,3H3/t12-,13+,14-,15-,17+/m0/s1
InChIKey: InChIKey=JPMPVNCPOBTSBR-CEEVZKBLSA-N
Formula: C17H22O4
Molecular Weight: 290.354827
Exact Mass: 290.151809
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sun, C.M., Syu, W.J., Don, M.J., Lu, J.J., Lee, G.H. J Nat Prod (2003) 66, 1175-80
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (CH) | 47.5 |
| 2 (CH2) | 30 |
| 3 (CH2) | 32.1 |
| 4 (C) | 151.1 |
| 5 (CH) | 52 |
| 6 (CH) | 84.1 |
| 7 (CH) | 51.2 |
| 8 (CH2) | 25.2 |
| 9 (CH2) | 35.8 |
| 10 (C) | 149.5 |
| 11 (C) | 76.3 |
| 12 (C) | 176.1 |
| 13 (CH2) | 44.5 |
| 14 (CH2) | 112.3 |
| 15 (CH2) | 109.8 |
| 13a (C) | 210 |
| 13b (CH3) | 32 |
