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(-) -EGCG-3'-O-Me

CAT: 0013-GTR19261024Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19261024Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(-) -EGCG-3'-O-Me
CAS Number
298700-56-8
Purity
95.0% (HPLC)
Notes
For research use only.

Chemical Information

[(2R,3R)-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
CAS Number298700-56-8
PubChem CID12097240
IUPAC Name[(2R,3R)-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Molecular FormulaC23H20O11
Molecular Weight472.4
XLogP2.6
Topological Polar Surface Area186
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity694
SMILES
COC1=CC(=CC(=C1O)O)[C@@H]2[C@@H](CC3=C(C=C(C=C3O2)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
InChI
InChI=1S/C23H20O11/c1-32-18-5-9(2-16(28)21(18)30)22-19(8-12-13(25)6-11(24)7-17(12)33-22)34-23(31)10-3-14(26)20(29)15(27)4-10/h2-7,19,22,24-30H,8H2,1H3/t19-,22-/m1/s1
InChIKey
GSZHJJBYEUDSFV-DENIHFKCSA-N
Chemical Structure
2D Structure
2D structure of [(2R,3R)-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
CAS: 298700-56-8
CID: 12097240
Formula: C23H20O11
MW: 472.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.4
XLogP32.6
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass472.10056145
Monoisotopic Mass472.10056145
Topological Polar Surface Area186 Ų
Heavy Atom Count34
Formal Charge0
Complexity694
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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