Spektraris NMR
deacylcynaropicrin
Common Name: deacylcynaropicrin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1
InChIKey: InChIKey=VPRPYNVJJXOFKZ-SNIKSBKOSA-N
Formula: C15H18O4
Molecular Weight: 262.301592
Exact Mass: 262.120509
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Macias, F.A., Vinolo, V.M.I., Fronczek, F.R., Massanet, G.M., Molinillo, J.M.G. Tetrahedron (2006) 62, 7747-55
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) | 45.1 |
| 2 (CH2) | 39.2 |
| 3 (CH) | 73.7 |
| 4 (C) | 142.7 |
| 5 (CH) | 50.9 |
| 6 (CH) | 78.8 |
| 7 (CH) | 51.2 |
| 8 (CH) | 70.9 |
| 9 (CH2) | 41.3 |
| 10 (C) | 152.4 |
| 11 (C) | 138.1 |
| 12 (C) | 183.5 |
| 13 (CH2) | 123.2 |
| 14 (CH2) | 117.4 |
| 15 (CH2) | 113.1 |
