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Farfugin A

CAT: 0013-GTR19231651-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231651-02Size:5 mg
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Description
Farfugin A is a high-purity natural product suitable for use as an analytical reference standard. It is employed in pharmacological research to study its biological activities, including investigations into its effects in both cellular (in vitro) and animal (in vivo) experimental models.
CAS Number
36061-18-4
Smiles
C[C@@H]1C=2C3=C (C=C (C) C2CCC1) C (C) =CO3
Molecular Formula
C15H18O
Molecular Weight
214.30
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Farfugin A
CAS Number36061-18-4
PubChem CID5317316
IUPAC Name3,5,9-trimethyl-6,7,8,9-tetrahydrobenzo[g][1]benzofuran
Molecular FormulaC15H18O
Molecular Weight214.30
XLogP4.8
Topological Polar Surface Area13.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity262
SMILES
CC1CCCC2=C1C3=C(C=C2C)C(=CO3)C
InChI
InChI=1S/C15H18O/c1-9-5-4-6-12-10(2)7-13-11(3)8-16-15(13)14(9)12/h7-9H,4-6H2,1-3H3
InChIKey
LBXSOZAXYXJJLL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Farfugin A
CAS: 36061-18-4
CID: 5317316
Formula: C15H18O
MW: 214.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.30
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass214.135765193
Monoisotopic Mass214.135765193
Topological Polar Surface Area13.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity262
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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