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Eupatarone

CAT: 0931-TN4037Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN4037Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17249-61-5
Target
Others, Antibacterial
Related Pathways
Others, Microbiology/Virology
Bioactivity
Eupatarone is a natural product from Eupatorium sternbergianum.
Smiles
COc1cc2cc(oc2cc1OC)C(C)=O
Molecular Formula
C12H12O4
Molecular Weight
220.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Caleprunin B
CAS Number17249-61-5
PubChem CID176913
IUPAC Name1-(5,6-dimethoxy-1-benzofuran-2-yl)ethanone
Molecular FormulaC12H12O4
Molecular Weight220.22
XLogP2.3
Topological Polar Surface Area48.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity266
SMILES
CC(=O)C1=CC2=CC(=C(C=C2O1)OC)OC
InChI
InChI=1S/C12H12O4/c1-7(13)9-4-8-5-11(14-2)12(15-3)6-10(8)16-9/h4-6H,1-3H3
InChIKey
PBFSOUHYSIPPGH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Caleprunin B
CAS: 17249-61-5
CID: 176913
Formula: C12H12O4
MW: 220.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.22
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass220.07355886
Monoisotopic Mass220.07355886
Topological Polar Surface Area48.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity266
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TN4036Euparone

Alternative Products

CatalogName
HY-119901-01Eupatarone

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