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Molecule
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
Identifiers
CAS Registry Number
71963-77-4
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 Key
SXYIRMFQILZOAM-HVNFFKDJSA-N
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
Names and Synonyms
- Artemether Synonym
- 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)- Synonym
- 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*)]- Synonym
- (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 Synonym
- Artemether Synonym
- SM 224 Synonym
- Dihydroartemisinin methyl ether Synonym
- β-Artemether Synonym
- β-Dihydroartemisinin methyl ether Synonym
- Artesian Synonym
- Gvither Synonym
- Artenam Synonym
- Malartem Synonym
- Artesaph Synonym
- Artemos Synonym
- Larither Synonym
- Falcidol Synonym
- Paluther Synonym
- (+)-Artemether Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 298.38 g/mol | CAS Common Chemistry |
| 298.379 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 |
| 46.15 Ų | RDKit | |
| LogP | 2.8408000000000015 | RDKit |
| 2.8408 | RDKit | |
| Molar Refractivity | 73.83700000000006 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 298.178023932 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 298.38 g/mol. Edit any field — others recompute live.
