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COLUMBIANETIN ACETATE

CAT: 0013-GTR19158872-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158872-01Size:200 mg
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Description
Columbianetin may be helpful in regulating mast cell-mediated allergic inflammatory responses.The absorption of columbianetin acetate is a passive diffusion process without pH-dependent.
CAS Number
23180-65-6
Purity
>98% (HPLC)
Solubility
DMSO:10 mM
Smiles
CC (=O) OC (C) (C) [C@@H]1Cc2c (O1) ccc1ccc (=O) oc21
Molecular Formula
C16H16O5
Molecular Weight
288.3
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Columbianetin acetate

Columbianetin acetate is an acetate ester obtained by formal acetylation of the tertiary hydroxy group of 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-ol. It has a role as a plant metabolite. It is a furanocoumarin and an acetate ester.

CAS Number23180-65-6
PubChem CID161409
IUPAC Name2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl acetate
Molecular FormulaC16H16O5
Molecular Weight288.29
XLogP2.5
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity481
SMILES
CC(=O)OC(C)(C)[C@@H]1CC2=C(O1)C=CC3=C2OC(=O)C=C3
InChI
InChI=1S/C16H16O5/c1-9(17)21-16(2,3)13-8-11-12(19-13)6-4-10-5-7-14(18)20-15(10)11/h4-7,13H,8H2,1-3H3/t13-/m0/s1
InChIKey
IQTTZQQJJBEAIM-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Columbianetin acetate
CAS: 23180-65-6
CID: 161409
Formula: C16H16O5
MW: 288.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.29
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass288.09977361
Monoisotopic Mass288.09977361
Topological Polar Surface Area61.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity481
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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