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Arteannuin A

CAT: 0931-TN3451Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3451Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
82442-48-6
Target
Others
Related Pathways
Others
Bioactivity
Arteannuin A is a natural product from Artemisia annua.
Smiles
[H][C@]12CC[C@@H](C)[C@]3([H])CC=C(C)[C@]([H])(OC1=O)[C@]23[H] |t:9|
Molecular Formula
C13H18O2
Molecular Weight
206.285
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Arteannuin A
CAS Number82442-48-6
PubChem CID21632759
IUPAC Name(1R,4R,7R,8S,12S)-7,11-dimethyl-2-oxatricyclo[6.3.1.04,12]dodec-10-en-3-one
Molecular FormulaC13H18O2
Molecular Weight206.28
XLogP2.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity331
SMILES
C[C@@H]1CC[C@@H]2[C@@H]3[C@H]1CC=C([C@@H]3OC2=O)C
InChI
InChI=1S/C13H18O2/c1-7-3-6-10-11-9(7)5-4-8(2)12(11)15-13(10)14/h4,7,9-12H,3,5-6H2,1-2H3/t7-,9+,10-,11+,12+/m1/s1
InChIKey
VXAMURHMZFPMIP-BGOACCFOSA-N
Chemical Structure
2D Structure
2D structure of Arteannuin A
CAS: 82442-48-6
CID: 21632759
Formula: C13H18O2
MW: 206.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.28
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass206.130679813
Monoisotopic Mass206.130679813
Topological Polar Surface Area26.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity331
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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