Products for Research Use Only

9-epi-Artemisinin

CAT: 0572-TRC-A777505-1GSize: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-A777505-1GSize:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
113472-97-2
Synonyms
(3R,5aS,6R,8aS,9S,12S,12aR)-Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one; (+)-9-Epiartemisinin; 11-epi-Artemisinin;
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
C[C@@H]1CC[C@H]2[C@@H](C(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)C
Molecular Formula
C15H22O5
Molecular Weight
282.33
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

9-Epiartemisinin

9-epi-Artemisinin has been reported in Artemisia carvifolia and Artemisia apiacea with data available.

CAS Number113472-97-2
PubChem CID821423
IUPAC Name(1R,4S,5R,8S,9S,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
Molecular FormulaC15H22O5
Molecular Weight282.33
XLogP2.8
Topological Polar Surface Area54
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity452
SMILES
C[C@@H]1CC[C@H]2[C@@H](C(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)C
InChI
InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9+,10+,11+,13-,14-,15-/m1/s1
InChIKey
BLUAFEHZUWYNDE-DWIPZSBTSA-N
Chemical Structure
2D Structure
2D structure of 9-Epiartemisinin
CAS: 113472-97-2
CID: 821423
Formula: C15H22O5
MW: 282.33
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight282.33
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass282.14672380
Monoisotopic Mass282.14672380
Topological Polar Surface Area54 Ų
Heavy Atom Count20
Formal Charge0
Complexity452
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes