Spektraris NMR
Methyl 13-cyano-11-hydroartemisinate
Common Name: Methyl 13-cyano-11-hydroartemisinate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H25NO2/c1-11-4-6-13-12(2)5-7-14(16(13)10-11)15(8-9-18)17(19)20-3/h10,12-16H,4-8H2,1-3H3/t12-,13+,14+,15?,16+/m1/s1
InChIKey: InChIKey=OOILRWKNFSZLKL-GDOYIGSPSA-N
Formula: C17H25N1O2
Molecular Weight: 275.386582
Exact Mass: 275.188529
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) | 41.4 |
| 2 (CH2) | 25.5 |
| 3 (CH2) | 27.3 |
| 4 (C) | 137.4 |
| 5 (CH) | 119.2 |
| 6 (CH) | 38.9 |
| 7 (CH) | 42.2 |
| 8 (CH2) | 26.4 |
| 9 (CH2) | 35 |
| 10 (CH) | 27.3 |
| 11 (CH) | 44.3 |
| 12 (C) | 173.7 |
| 13 (CH2) | 17.9 |
| 14 (CH3) | 23.6 |
| 15 (CH3) | 19.5 |
| 12a (CH3) | 52 |
| 13a (C) | 117.7 |
