(1R,4S,5R,8S,9R,12R,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
Basic information
- CAS
126189-95-5- Standard SMILES
C[C@@H]1CC[C@H]2[C@@H](C)CO[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4- InChIKey
BOQMASYCUFVXCR-JPVAKHQASA-N- Molecular formula
- C15H24O4
- Average molar mass
- 268.35 g/mol
- Monoisotopic mass
- 268.16745924
Names & identifiers
- Preferred name
- (1R,4S,5R,8S,9R,12R,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
- IUPAC
- (1R,4S,5R,8S,9R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
- English name
- deoxoartemisinin
- Molecular formula
- C15H24O4
- Molecular weight
- 268.35
Names & synonyms
CHEMBL273441SCHEMBL15889893(1R,4S,5R,8S,9R,12R,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecanedeoxoartemisininNaproxen Impurity 45Artemisinin impurity 12(3R,9R,10aR,10bR)-Decahydro-3α,6β,9-trimethyl-10aH-9β,10bβ-epidioxypyrano[4,3,2-jk][2]benzoxepin3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin, decahydro-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,12R,12aR)-
Database identifiers
- CAS
126189-95-5- PubChem CID
- 3000468
- ChEMBL
CHEMBL273441- Nikkaji
- J304.249I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…