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Epimedin A

CAT: 1410-M17817-07Size: 200 mgDry Ice: NoHazardous: No
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CAT#:1410-M17817-07Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Epimedin A has anti-osteoporosis activities in vivo.
CAS Number
110623-72-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
838.8
Molecular Formula
C39H50O20
Notes
Research use only, not for human use.
Receptor
Others

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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