Spektraris NMR
13-Nitromethylartemisinin
Common Name: 13-Nitromethylartemisinin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H23NO7/c1-9-3-4-12-10(6-8-17(19)20)13(18)21-14-16(12)11(9)5-7-15(2,22-14)23-24-16/h9-12,14H,3-8H2,1-2H3/t9-,10-,11+,12+,14-,15+,16-/m1/s1
InChIKey: InChIKey=VCPJCCFAEYRMGE-JVGKAEOOSA-N
Formula: C16H23N1O7
Molecular Weight: 341.356989
Exact Mass: 341.147452
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) | 35.8 |
| 4 (C) | 105.6 |
| 5 (CH) | 93.9 |
| 6 (C) | 79 |
| 7 (CH) | 44.7 |
| 8 (CH2) | 23.6 |
| 9 (CH2) | 33.4 |
| 10 (CH) | 37.4 |
| 11 (CH) | 35.7 |
| 12 (C) | 170.6 |
| 13 (CH2) | 26.1 |
| 14 (CH3) | 19.7 |
| 15 (CH3) | 25.4 |
| 13a (CH2) | 74.1 |
