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Ginnalin B

CAT: 0013-GTR19229466-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19229466-01Size:1 mg
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Description
Ginnalin B (CAS 82151-97-1) is a research chemical employed in life science studies. It is utilized in both in vitro and in vivo research, particularly in investigations related to antioxidant activity and metabolic pathways.
CAS Number
82151-97-1
Smiles
O[C@H]1CO[C@H] (COC (=O) c2cc (O) c (O) c (O) c2) [C@@H] (O) [C@@H]1O
Molecular Formula
C13H16O9
Molecular Weight
316.262
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ginnalin B

Ginnalin B has been reported in Acer pycnanthum and Acer rubrum with data available.

CAS Number82151-97-1
PubChem CID44512370
IUPAC Name[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Molecular FormulaC13H16O9
Molecular Weight316.26
XLogP-1.5
Topological Polar Surface Area157
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity378
SMILES
C1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O
InChI
InChI=1S/C13H16O9/c14-6-1-5(2-7(15)10(6)17)13(20)22-4-9-12(19)11(18)8(16)3-21-9/h1-2,8-9,11-12,14-19H,3-4H2/t8-,9+,11+,12+/m0/s1
InChIKey
NUVIRDWXIBOJTE-LUTQBAROSA-N
Chemical Structure
2D Structure
2D structure of Ginnalin B
CAS: 82151-97-1
CID: 44512370
Formula: C13H16O9
MW: 316.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.26
XLogP3-1.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass316.07943208
Monoisotopic Mass316.07943208
Topological Polar Surface Area157 Ų
Heavy Atom Count22
Formal Charge0
Complexity378
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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