Spektraris NMR
13-Ethylsulfonylartemisinin
Common Name: 13-Ethylsulfonylartemisinin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O8S/c1-4-21-26(19,20)9-11-13-6-5-10(2)12-7-8-16(3)23-15(22-14(11)18)17(12,13)25-24-16/h10-13,15H,4-9H2,1-3H3/t10-,11-,12+,13+,15-,16+,17-/m1/s1
InChIKey: InChIKey=ZCYDDMYBIKAJCO-YHHXLTPFSA-N
Formula: C17H26O8S1
Molecular Weight: 390.450294
Exact Mass: 390.134839
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) | 50 |
| 2 (CH2) | 25.2 |
| 3 (CH2) | 35.9 |
| 4 (C) | 105.5 |
| 5 (CH) | 93.8 |
| 6 (C) | 79.2 |
| 7 (CH) | 43 |
| 8 (CH2) | 23.8 |
| 9 (CH2) | 33.5 |
| 10 (CH) | 37.4 |
| 11 (CH) | 35.6 |
| 12 (C) | 171.7 |
| 13 (CH2) | 52 |
| 14 (CH3) | 19.8 |
| 15 (CH3) | 25.2 |
| 13a (CH2) | 48.5 |
| 13b (CH3) | 6.7 |
