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Pinobanksin 3-acetate

CAT: 0013-GTR19182537-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19182537-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pinobanksin 3-acetate (3-O-Acetylpinobanksin) is a potent antioxidant flavonoid isolated from propolis and honey. Its ability to inhibit LDL oxidation makes it a valuable compound for cardiovascular and oxidative stress research in both in vitro and cell-based studies.
CAS Number
52117-69-8
Product Name Alternative
Antioxidant, 3-O-Acetylpinobanksin, Pinobanksin, Pinobanksin 3-acetate
Field of Research
Metabolism Research
Purity
99.79% (May vary between batches)
Solubility
DMSO:90 mg/mL (286.36 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (10.5 mM)
Smiles
CC (=O) O[C@@H]1[C@H] (Oc2cc (O) cc (O) c2C1=O) c1ccccc1
Molecular Formula
C17H14O6
Molecular Weight
314.29
Storage Conditions
Store at low temperature, keep away from direct sunlight | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Pinobanksin 3-acetate

Pinobanksin 3-O-acetate is a member of dihydroflavonols.

CAS Number52117-69-8
PubChem CID148556
IUPAC Name[(2R,3R)-5,7-dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl] acetate
Molecular FormulaC17H14O6
Molecular Weight314.29
XLogP2.8
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity458
SMILES
CC(=O)O[C@@H]1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3
InChI
InChI=1S/C17H14O6/c1-9(18)22-17-15(21)14-12(20)7-11(19)8-13(14)23-16(17)10-5-3-2-4-6-10/h2-8,16-17,19-20H,1H3/t16-,17+/m1/s1
InChIKey
BJYHZSNSMVEQEH-SJORKVTESA-N
Chemical Structure
2D Structure
2D structure of Pinobanksin 3-acetate
CAS: 52117-69-8
CID: 148556
Formula: C17H14O6
MW: 314.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.29
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass314.07903816
Monoisotopic Mass314.07903816
Topological Polar Surface Area93.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity458
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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