Spektraris NMR
13-Acetylmokkolactone
Common Name: 13-Acetylmokkolactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H22O3/c1-9-4-7-13-14(8-11(3)18)17(19)20-16(13)15-10(2)5-6-12(9)15/h12-16H,1-2,4-8H2,3H3/t12-,13-,14-,15-,16-/m0/s1
InChIKey: InChIKey=UOZPGWGIBDSRNC-QXKUPLGCSA-N
Formula: C17H22O3
Molecular Weight: 274.355422
Exact Mass: 274.156895
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) | 47 |
| 2 (CH2) | 30 |
| 3 (CH2) | 32.3 |
| 4 (C) | 149.6 |
| 5 (CH) | 51.8 |
| 6 (CH) | 85.5 |
| 7 (CH) | 47.3 |
| 8 (CH2) | 32.4 |
| 9 (CH2) | 37.3 |
| 10 (C) | 151.5 |
| 11 (CH) | 42.4 |
| 12 (C) | 177.4 |
| 13 (CH2) | 41.6 |
| 14 (CH2) | 111.9 |
| 15 (CH2) | 109.1 |
| 13a (C) | 205.3 |
| 13b (CH3) | 30.1 |
