Spektraris NMR
(11S,16R) 11,16-epoxy-13-ethylmokkolactone
Common Name: (11S,16R) 11,16-epoxy-13-ethylmokkolactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H22O3/c1-9-5-7-13-15(14-10(2)4-6-12(9)14)19-16(18)17(13)8-11(3)20-17/h11-15H,1-2,4-8H2,3H3/t11-,12+,13-,14+,15+,17+/m1/s1
InChIKey: InChIKey=BBBCOILLJIFAEU-REISYBLGSA-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) | 46.9 |
| 2 (CH2) | 30.1 |
| 3 (CH2) | 32.2 |
| 4 (C) | 149.9 |
| 5 (CH) | 52.4 |
| 6 (CH) | 82.2 |
| 7 (CH) | 50.2 |
| 8 (CH2) | 29.2 |
| 9 (CH2) | 37.5 |
| 10 (C) | 151.2 |
| 11 (C) | 82.9 |
| 12 (C) | 177.4 |
| 13 (CH2) | 32.4 |
| 14 (CH2) | 111.9 |
| 15 (CH2) | 109.4 |
| 13a (CH) | 75.3 |
| 13b (CH3) | 23.8 |
