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Eupatarone

CAT: 0013-GTR19181658Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19181658Size:5 mg
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Description
Eupatarone is a natural small molecule compound isolated from the plant Eupatorium sternbergianum. It serves as a research tool for investigating its biological activities, with studies exploring its potential effects in both in vitro assays and in vivo experimental models.
CAS Number
17249-61-5
Field of Research
Infectious Disease & Virology
Smiles
COc1cc2cc (oc2cc1OC) C (C) =O
Molecular Formula
C12H12O4
Molecular Weight
220.22
Storage Conditions
-20°C
Notes
For research use only.

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

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GTR19181669Euparone

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CatalogName
TN4037Eupatarone

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