3-[(6-deoxy-a-L-mannopyranosyl)oxy]-7-(b-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one

Catalog No: FT-0694593

CAS No: 56692-02-5

Chemical Name: 3-[(6-deoxy-a-L-mannopyranosyl)oxy]-7-(b-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
Molecular Formula: C49H56O23
Molecular Weight: 1013
InChI Key: QRFUTUDDVRHMIZ-QPIFRKLPSA-N
InChI: 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

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Base Information
Chemical Information

Product_Name:	Icariin peracetate
Flash_Point:	N/A
Melting_Point:	N/A
FW:	1012.96000
Density:	1.38
CAS:	56692-02-5
Bolling_Point:	N/A
MF:	C49H56O23

Density:	1.38
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :23 ', '4. Rotatable Bond Count :25 ', '5. Isotope Atom Count :N/A ', '6. TPSA 283 ', '7. Heavy Atom Count :72 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :2090 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :10 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
LogP:	4.28320
Refractive_Index:	1.637
FW:	1012.96000
PSA:	286.76000
MF:	C49H56O23
Exact_Mass:	1012.32000