Spektraris NMR
Methyl 13-ethylthio-11-hydroartemisinate
Common Name: Methyl 13-ethylthio-11-hydroartemisinate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H30O2S/c1-5-21-11-17(18(19)20-4)15-9-7-13(3)14-8-6-12(2)10-16(14)15/h10,13-17H,5-9,11H2,1-4H3/t13-,14+,15-,16+,17?/m1/s1
InChIKey: InChIKey=HCYXKIZPGLVYHM-VPEURPPWSA-N
Formula: C18H30O2S1
Molecular Weight: 310.496363
Exact Mass: 310.196651
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Han, J., Lee, J.G., Min, S.S., Park, S.H., Angerhofer, C.K., Cordell, G.A., Kim, S.U. J Nat Prod (2001) 64, 1201-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Amorphanes; 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) | 41.6 |
| 2 (CH2) | 25.5 |
| 3 (CH2) | 26.2 |
| 4 (C) | 135.8 |
| 5 (CH) | 119 |
| 6 (CH) | 39.5 |
| 7 (CH) | 44.7 |
| 8 (CH2) | 26.4 |
| 9 (CH2) | 35.1 |
| 10 (CH) | 27.6 |
| 11 (CH) | 36.9 |
| 12 (C) | 175.3 |
| 13 (CH2) | 48.8 |
| 14 (CH3) | 23.8 |
| 15 (CH3) | 19.7 |
| 12a (CH3) | 51.4 |
| 13a (CH2) | 27.3 |
| 13b (CH3) | 14.6 |
