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Home Other Building Blocks Icariside I

Icariside I

CAS No.:
56725-99-6
Catalog Number:
AG00EI5U
Molecular Formula:
C27H30O11
Molecular Weight:
530.5205
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$154
- +
10mg
98%
1 week
United States
$210
- +
25mg
98%
1 week
United States
$362
- +
Product Description
Catalog Number:
AG00EI5U
Chemical Name:
Icariside I
CAS Number:
56725-99-6
Molecular Formula:
C27H30O11
Molecular Weight:
530.5205
MDL Number:
MFCD01662755
IUPAC Name:
3,5-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
InChI:
InChI=1S/C27H30O11/c1-12(2)4-9-15-17(36-27-24(34)22(32)20(30)18(11-28)37-27)10-16(29)19-21(31)23(33)25(38-26(15)19)13-5-7-14(35-3)8-6-13/h4-8,10,18,20,22,24,27-30,32-34H,9,11H2,1-3H3/t18-,20-,22+,24-,27-/m1/s1
InChI Key:
IYCPMVXIUPYNHI-WPKKLUCLSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2CC=C(C)C)oc(c(c3=O)O)c2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Complexity:
892  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
530.179g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
530.526g/mol
Monoisotopic Mass:
530.179g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Synthesis and antimultidrug resistance evaluation of icariin and its derivatives. Bioorganic & medicinal chemistry letters 20090801
Statistically designed enzymatic hydrolysis for optimized production of icariside II as a novel melanogenesis inhibitor. Journal of microbiology and biotechnology 20080101
LC-MS/MS method for the simultaneous determination of icariin and its major metabolites in rat plasma. Journal of pharmaceutical and biomedical analysis 20071130
Properties