#5;21-KETO-OCTACOSANYL-TRIGLUCOSIDE;2-OCTACOS-21-ONYL-BETA-D-GLUCOPYRANOSYL-(2'->1'')-BETA-D-GLUCOPYRANOSYL-(2''->1''')-BETA-D-(2''',3''',4'''-TRIACETYL)-GLUCO

SpectraBase Compound ID	XuPn12JJ63
InChI	InChI=1S/C52H92O20/c1-5-6-7-22-25-28-37(59)29-26-23-20-18-16-14-12-10-8-9-11-13-15-17-19-21-24-27-30-64-50-46(43(62)41(60)38(31-53)68-50)71-51-47(44(63)42(61)39(32-54)69-51)72-52-49(67-36(4)58)48(66-35(3)57)45(65-34(2)56)40(33-55)70-52/h38-55,60-63H,5-33H2,1-4H3/t38-,39+,40+,41+,42-,43+,44-,45-,46-,47+,48-,49+,50-,51-,52-/m0/s1
InChIKey	BKZFGIHAVXSACI-UXLWLBEASA-N Google Search
Mol Weight	1037.3 g/mol
Molecular Formula	C52H92O20
Exact Mass	1036.618195 g/mol

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SpectraBase Spectrum ID	Ky1hcV0lDra
Name	#5;21-KETO-OCTACOSANYL-TRIGLUCOSIDE;2-OCTACOS-21-ONYL-BETA-D-GLUCOPYRANOSYL-(2'->1'')-BETA-D-GLUCOPYRANOSYL-(2''->1''')-BETA-D-(2''',3''',4'''-TRIACETYL)-GLUCO
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C52H92O20
InChI	InChI=1S/C52H92O20/c1-5-6-7-22-25-28-37(59)29-26-23-20-18-16-14-12-10-8-9-11-13-15-17-19-21-24-27-30-64-50-46(43(62)41(60)38(31-53)68-50)71-51-47(44(63)42(61)39(32-54)69-51)72-52-49(67-36(4)58)48(66-35(3)57)45(65-34(2)56)40(33-55)70-52/h38-55,60-63H,5-33H2,1-4H3/t38-,39+,40+,41+,42-,43+,44-,45-,46-,47+,48-,49+,50-,51-,52-/m0/s1
InChIKey	BKZFGIHAVXSACI-UXLWLBEASA-N
Literature Reference Author	M.SHUAIB,M.ALI,K.J.NAQUVI
Literature Reference Citation	J.CHEM.PHARM.RES.,5,8,42(2013)
Molecular Weight	1037.290 g/mol
Solvent	DMSO-D6
Source File Reference	UWBT13697