Spektraris NMR
Methyl (3R)-3-acetoxyartemisinate
Common Name: Methyl (3R)-3-acetoxyartemisinate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H26O4/c1-10-6-7-14(12(3)18(20)21-5)16-8-11(2)17(9-15(10)16)22-13(4)19/h8,10,14-17H,3,6-7,9H2,1-2,4-5H3/t10-,14+,15+,16-,17-/m1/s1
InChIKey: InChIKey=WHEBSWRSZXRACB-GFVQHMJJSA-N
Formula: C18H26O4
Molecular Weight: 306.397325
Exact Mass: 306.183109
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) | 43.7 |
| 2 (CH2) | 32.3 |
| 3 (CH) | 71.2 |
| 4 (C) | 133.2 |
| 5 (CH) | 124.5 |
| 6 (CH) | 38.2 |
| 7 (CH) | 42.1 |
| 8 (CH2) | 25.9 |
| 9 (CH2) | 35.1 |
| 10 (CH) | 28.8 |
| 11 (C) | 142.9 |
| 12 (C) | 171 |
| 13 (CH2) | 126.2 |
| 14 (CH3) | 19.3 |
| 15 (CH3) | 19.8 |
| 3a (C) | 167.6 |
| 3b (CH3) | 21.2 |
| 12a (CH3) | 51.8 |
