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Ginnalin B

CAT: 0931-T124162-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T124162-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
82151-97-1
Target
Others
Related Pathways
Others
Bioactivity
Ginnalin B is a useful organic compound for research related to life sciences. The catalog number is T124162 and the CAS number is 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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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