Spektraris NMR
13-(1-Nitroethyl)artemisinin
Common Name: 13-(1-Nitroethyl)artemisinin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H25NO7/c1-9-4-5-13-11(8-10(2)18(20)21)14(19)22-15-17(13)12(9)6-7-16(3,23-15)24-25-17/h9-13,15H,4-8H2,1-3H3/t9-,10?,11-,12+,13+,15-,16+,17-/m1/s1
InChIKey: InChIKey=CHFXDIVJWRUBKL-DDXFHUCFSA-N
Formula: C17H25N1O7
Molecular Weight: 355.383607
Exact Mass: 355.163102
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) | 49.8 |
| 2 (CH2) | 24.8 |
| 3 (CH2) | 35.8 |
| 4 (C) | 105.6 |
| 5 (CH) | 94 |
| 6 (C) | 79 |
| 7 (CH) | 44.7 |
| 8 (CH2) | 23.7 |
| 9 (CH2) | 33.4 |
| 10 (CH) | 37.5 |
| 11 (CH) | 35.7 |
| 12 (C) | 170.9 |
| 13 (CH2) | 35.8 |
| 14 (CH3) | 19.7 |
| 15 (CH3) | 25.1 |
| 13a (CH) | 82.7 |
| 13b (CH3) | 20.4 |
