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Taraxinic acid

CAT: 0013-GTR19179841Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19179841Size:5 mg
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Description
Taraxinic acid (CAS 75911-33-0) is a natural sesquiterpene lactone used in life science research. It has been studied in vitro for its potential biological activities, including anti-inflammatory and cytotoxic effects, making it relevant for pharmacological and phytochemical investigations.
CAS Number
75911-33-0
Field of Research
Protein Biochemistry
Smiles
[H][C@]12OC (=O) C (=C) [C@]1 ([H]) CC\C (=C/CC\C (C) =C/2) C (O) =O |c:12,17|
Molecular Formula
C15H18O4
Molecular Weight
262.305
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Taraxinicacid
CAS Number75911-33-0
PubChem CID76566683
IUPAC Name10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylic acid
Molecular FormulaC15H18O4
Molecular Weight262.30
XLogP1.4
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity484
SMILES
CC1=CC2C(CCC(=CCC1)C(=O)O)C(=C)C(=O)O2
InChI
InChI=1S/C15H18O4/c1-9-4-3-5-11(14(16)17)6-7-12-10(2)15(18)19-13(12)8-9/h5,8,12-13H,2-4,6-7H2,1H3,(H,16,17)
InChIKey
KZWCOWFKXMTBRH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Taraxinicacid
CAS: 75911-33-0
CID: 76566683
Formula: C15H18O4
MW: 262.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight262.30
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass262.12050905
Monoisotopic Mass262.12050905
Topological Polar Surface Area63.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity484
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count2
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes