Spektraris NMR
13-Cyanoartemisinin
Common Name: 13-Cyanoartemisinin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H21NO5/c1-9-3-4-12-10(6-8-17)13(18)19-14-16(12)11(9)5-7-15(2,20-14)21-22-16/h9-12,14H,3-7H2,1-2H3/t9-,10-,11+,12+,14-,15+,16-/m1/s1
InChIKey: InChIKey=KLTNVMIGHJIZKH-JVGKAEOOSA-N
Formula: C16H21N1O5
Molecular Weight: 307.342298
Exact Mass: 307.141973
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) | 24.7 |
| 3 (CH2) | 36.7 |
| 4 (C) | 105.7 |
| 5 (CH) | 94.2 |
| 6 (C) | 79 |
| 7 (CH) | 42.4 |
| 8 (CH2) | 23.2 |
| 9 (CH2) | 33.1 |
| 10 (CH) | 37.6 |
| 11 (CH) | 35.5 |
| 12 (C) | 168.3 |
| 13 (CH2) | 15.3 |
| 14 (CH3) | 19.7 |
| 15 (CH3) | 25.1 |
| 13a (C) | 117.1 |
