Spektraris NMR
Methyl 11-hydro-13-nitromethylartemisinate
Common Name: Methyl 11-hydro-13-nitromethylartemisinate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H27NO4/c1-11-4-6-13-12(2)5-7-14(16(13)10-11)15(17(19)22-3)8-9-18(20)21/h10,12-16H,4-9H2,1-3H3/t12-,13+,14+,15?,16+/m1/s1
InChIKey: InChIKey=RHIVCKATDSKNLL-GDOYIGSPSA-N
Formula: C17H27N1O4
Molecular Weight: 309.401273
Exact Mass: 309.194008
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) | 41.7 |
| 2 (CH2) | 25.7 |
| 3 (CH2) | 26.6 |
| 4 (C) | 136.9 |
| 5 (CH) | 118.5 |
| 6 (CH) | 36.8 |
| 7 (CH) | 45.1 |
| 8 (CH2) | 27.2 |
| 9 (CH2) | 35.1 |
| 10 (CH) | 27.6 |
| 11 (CH) | 35.2 |
| 12 (C) | 175.6 |
| 13 (CH2) | 26.8 |
| 14 (CH3) | 23.8 |
| 15 (CH3) | 19.6 |
| 12a (CH3) | 51.7 |
| 13a (CH2) | 73.3 |
