Spektraris NMR
13-(10-Hydroxyethyl)-mokkolactone
Common Name: 13-(10-Hydroxyethyl)-mokkolactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H24O3/c1-9-4-7-13-14(8-11(3)18)17(19)20-16(13)15-10(2)5-6-12(9)15/h11-16,18H,1-2,4-8H2,3H3/t11-,12+,13+,14+,15+,16+/m1/s1
InChIKey: InChIKey=YRBQUTDCCBBGLO-NMHRLERGSA-N
Formula: C17H24O3
Molecular Weight: 276.371303
Exact Mass: 276.172545
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) | 46.4 |
| 2 (CH2) | 32.2 |
| 3 (CH2) | 32.5 |
| 4 (C) | 149.6 |
| 5 (CH) | 51.8 |
| 6 (CH) | 85.9 |
| 7 (CH) | 47.4 |
| 8 (CH2) | 29.7 |
| 9 (CH2) | 37.5 |
| 10 (C) | 151.5 |
| 11 (CH) | 43.3 |
| 12 (C) | 179.4 |
| 13 (CH2) | 38.2 |
| 14 (CH2) | 111.9 |
| 15 (CH2) | 109.1 |
| 13a (CH) | 64.8 |
| 13b (CH3) | 23.8 |
