Cas no 56692-02-5 (Icariin peracetate)

Icariin peracetate is a chemically modified derivative of icariin, a bioactive flavonoid glycoside found in Epimedium species. This peracetylated form enhances the compound's lipophilicity, improving its solubility in organic solvents and membrane permeability, which is advantageous for pharmacokinetic studies and formulation development. The acetylation of hydroxyl groups also increases stability, reducing susceptibility to enzymatic degradation. Icariin peracetate retains the pharmacological properties of its parent compound, including potential anti-inflammatory, neuroprotective, and osteogenic effects, making it a valuable intermediate for research in drug discovery and nutraceutical applications. Its well-defined structure allows for precise analytical characterization, supporting reproducibility in experimental settings.
Icariin peracetate structure
Icariin peracetate structure
Product Name:Icariin peracetate
CAS No:56692-02-5
MF:C49H56O23
MW:1012.95515727997
CID:57006
PubChem ID:71464344
Update Time:2025-06-07

Icariin peracetate Chemical and Physical Properties

Names and Identifiers

    • Icariin peracetate
    • 5-(Acetyloxy)-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-7-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]-3-[(2,3,4-tri-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-4H-1-benzopyran-4-one
    • [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[5-acetyloxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-4-oxo-3-[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxychromen-7-yl]oxyoxan-2-yl]methyl acetat
    • Lcariin
    • Icariinperacetate
    • Icariin
    • 2-(4-Methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-7-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]-3-[(2,3,4-tri-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-4H-1-benzopyran-5-yl acetate
    • (2S,3R,4S,5R,6R)-2-((5-acetoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-3-(((2S,3R,4R,5S,6S)-3,4,5-triacetoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-7-yl)oxy)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
    • DTXSID80856108
    • 56692-02-5
    • [(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-{[5-(acetyloxy)-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-3-{[(2S,3R,4R,5S,6S)-3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}-4H-chromen-7-yl]oxy}oxan-2-yl]methyl acetate
    • [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[5-acetyloxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-4-oxo-3-[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxychromen-7-yl]oxyoxan-2-yl]methyl acetate
    • AKOS016013349
    • Inchi： 1S/C49H56O23/c1-21(2)13-18-33-34(69-49-47(68-30(11)57)45(66-28(9)55)42(64-26(7)53)36(70-49)20-60-23(4)50)19-35(62-24(5)51)37-38(58)43(40(71-41(33)37)31-14-16-32(59-12)17-15-31)72-48-46(67-29(10)56)44(65-27(8)54)39(22(3)61-48)63-25(6)52/h13-17,19,22,36,39,42,44-49H,18,20H2,1-12H3/t22-,36+,39-,42+,44+,45-,46+,47+,48-,49+/m0/s1
    • InChI Key： QRFUTUDDVRHMIZ-QPIFRKLPSA-N
    • SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)OC1=CC(=C2C(C(=C(C3C=CC(=CC=3)OC)OC2=C1C/C=C(/C)\C)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)OC(C)=O)OC(C)=O)OC(C)=O)=O)OC(C)=O

Computed Properties

  • Exact Mass: 1012.32000
  • Monoisotopic Mass: 1012.32123803g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 23
  • Heavy Atom Count: 72
  • Rotatable Bond Count: 25
  • Complexity: 2090
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 283?2

Experimental Properties

  • Density: 1.38
  • Refractive Index: 1.637
  • PSA: 286.76000
  • LogP: 4.28320

Icariin peracetate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
CM162523-1g
(2S,3R,4S,5R,6R)-2-((5-acetoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-3-(((2S,3R,4R,5S,6S)-3,4,5-triacetoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-7-yl)oxy)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
 56692-02-5 95%
1g
 $408 2021-06-15
Chemenu
CM162523-1g
(2S,3R,4S,5R,6R)-2-((5-acetoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-3-(((2S,3R,4R,5S,6S)-3,4,5-triacetoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-7-yl)oxy)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
 56692-02-5 95%
1g
 $*** 2023-05-30

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