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Epimedin A

CAT: 0013-GTR19170665-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170665-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Epimedin A
CAS Number
110623-72-8
Product Name Alternative
Epimedin A, Inhibitor, inhibit
Field of Research
Cell Biology, Immunology & Inflammation, Protein Biochemistry, Signal Transduction
Purity
99.00% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:5.00 mg/mL (5.96 mM) ; DMSO:50.00 mg/mL (59.61 mM)
Smiles
[H][C@@]1 (O[C@H]2[C@H] (Oc3c (oc4c (CC=C (C) C) c (O[C@@H]5O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]5O) cc (O) c4c3=O) -c3ccc (OC) cc3) O[C@@H] (C) [C@H] (O) [C@H]2O) O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C39H50O20
Molecular Weight
838.80
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Epimedin A

Epimedin A has been reported in Epimedium sagittatum, Epimedium sempervirens, and other organisms with data available.

CAS Number110623-72-8
PubChem CID53486399
IUPAC Name3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one
Molecular FormulaC40H52O19
Molecular Weight836.8
XLogP0.7
Topological Polar Surface Area304
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count19
Rotatable Bond Count12
Heavy Atom Count59
Formal Charge0
Complexity1470
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O[C@@H]4C[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)O)C5=CC=C(C=C5)OC)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O
InChI
InChI=1S/C40H52O19/c1-15(2)5-10-20-22(55-23-11-18(13-41)27(45)31(49)28(23)46)12-21(43)25-30(48)37(35(57-36(20)25)17-6-8-19(53-4)9-7-17)58-40-38(33(51)26(44)16(3)54-40)59-39-34(52)32(50)29(47)24(14-42)56-39/h5-9,12,16,18,23-24,26-29,31-34,38-47,49-52H,10-11,13-14H2,1-4H3/t16-,18+,23+,24+,26-,27+,28-,29+,31-,32-,33+,34+,38+,39-,40-/m0/s1
InChIKey
OKOVXNDIKBDKAA-OIAFWOJHSA-N
Chemical Structure
2D Structure
2D structure of Epimedin A
CAS: 110623-72-8
CID: 53486399
Formula: C40H52O19
MW: 836.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight836.8
XLogP30.7
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count19
Rotatable Bond Count12
Exact Mass836.31027942
Monoisotopic Mass836.31027942
Topological Polar Surface Area304 Ų
Heavy Atom Count59
Formal Charge0
Complexity1470
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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