| CAS Number | 101020-89-7 |
| Catalog Number | AG008X14(AGN-PC-0OQ8VP) |
| Chemical Name | Artemisitene |
| IUPAC Name | (1R,4S,5R,8S,12S,13R)-1,5-dimethyl-9-methylidene-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one |
| InChI | InChI=1S/C15H20O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8,10-11,13H,2,4-7H2,1,3H3/t8-,10+,11+,13-,14-,15-/m1/s1 |
| InChI Key | IGEBZMMCKFUABB-KPHNHPKPSA-N |
| MDL Number | MFCD19443385 |
| Molecular Formula | C15H20O5 |
| Molecular Weight | 280.3163 |
| SMILES | C=C1[C@]2([C@]34[C@@](O[C@](C)(OO3)CC[C@]4([C@H](C)CC2)[H])(OC1=O)[H])[H] |
| Synonyms | artemisitene,
Artemisitene,
101020-89-7,
Artemisitin,
Dehydroqinghaosu,
(+)-Artemisitene,
CHEMBL526138,
SCHEMBL1842463,
ZINC28536516,
(3R,5aS,6R,8aS,12S,12aR)-Octahydro-3,6-dimethyl-9-methylene-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one,
C15-H20-O5,
CID11000442,
|
| Complexity | 489 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.32g/mol |
| Monoisotopic Mass | 280.131g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number