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Artemether
CAS: 71963-77-4 | C16H26O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
71963-77-4
Molecular Formula:
C16H26O5
Molecular Mass:
298.38 g/mol
Names and Synonyms:
Artemether
3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin, decahydro-10-methoxy-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,10S,12R,12aR)-
3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin, decahydro-10-methoxy-3,6,9-trimethyl-, [3R-(3α,5aβ,6β,8aβ,9α,10α,12β,12aR*)]-
(3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-10-methoxy-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin
Artemether
SM 224
Dihydroartemisinin methyl ether
β-Artemether
β-Dihydroartemisinin methyl ether
Artesian
Gvither
Artenam
Malartem
Artesaph
Artemos
Larither
Falcidol
Paluther
(+)-Artemether
Identifiers:
SMILES:
CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3
InChI:
InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1
Key Properties
Melting Point
86-88 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 298.38 g/mol | CAS Common Chemistry |
| 298.379 g/mol | RDKit | |
| 298.178023932 g/mol | RDKit | |
| Canonical SMILES | O1OC23C4OC(OC)C(C)C3CCC(C)C2CCC1(O4)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SXYIRMFQILZOAM-HVNFFKDJSA-N | CAS Common Chemistry |
| Melting Point | 86-88 °C | CAS Common Chemistry |
| Name | Artemether | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.150000000000006 Ų | RDKit |
| LogP | 2.8408000000000015 | RDKit |
| Molar Refractivity | 73.83700000000006 | RDKit |
