#3;2-O-GALLOYL-3-O-(3,4,5,6,7-PENTAHYDROXYBIPHENYLETHER-8A-CARBOXYLIC-ACID-1-CARBOXYLOYL)-(S)-4,6-HEXAHYDROXY-BIPHENOYL-(ALPHA/BETA)-(4)-C-(1)-GLUCOPYRANOSE

SpectraBase Compound ID	2GCrdapHF6y
InChI	InChI=1S/2C41H30O27/c242-14-1-9(2-15(43)24(14)48)37(58)68-35-34(67-38(59)10-3-16(44)25(49)20(4-10)64-32-13(36(56)57)7-19(47)28(52)31(32)55)33-21(65-41(35)62)8-63-39(60)11-5-17(45)26(50)29(53)22(11)23-12(40(61)66-33)6-18(46)27(51)30(23)54/h21-7,21,33-35,41-55,62H,8H2,(H,56,57)/t21-,33-,34+,35-,41+;21-,33-,34+,35-,41-/m11/s1
InChIKey	VIUOZIGEVQCWMO-PIPYTAEESA-N Google Search
Mol Weight	1909.3 g/mol
Molecular Formula	C82H60O54
Exact Mass	1908.194891 g/mol

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SpectraBase Spectrum ID	5smEsynmFWc
Name	#3;2-O-GALLOYL-3-O-(3,4,5,6,7-PENTAHYDROXYBIPHENYLETHER-8A-CARBOXYLIC-ACID-1-CARBOXYLOYL)-(S)-4,6-HEXAHYDROXY-BIPHENOYL-(ALPHA/BETA)-(4)-C-(1)-GLUCOPYRANOSE
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C82H60O54
InChI	InChI=1S/2C41H30O27/c242-14-1-9(2-15(43)24(14)48)37(58)68-35-34(67-38(59)10-3-16(44)25(49)20(4-10)64-32-13(36(56)57)7-19(47)28(52)31(32)55)33-21(65-41(35)62)8-63-39(60)11-5-17(45)26(50)29(53)22(11)23-12(40(61)66-33)6-18(46)27(51)30(23)54/h21-7,21,33-35,41-55,62H,8H2,(H,56,57)/t21-,33-,34+,35-,41+;21-,33-,34+,35-,41-/m11/s1
InChIKey	VIUOZIGEVQCWMO-PIPYTAEESA-N
Literature Reference Author	M.A.M.NAWWAR,S.A.M.HUSSEIN,J.BUDDRUS,M.LINSCHEID
Literature Reference Citation	PHYTOCHEM.,35,1349(1994)
Literature Reference DOI	10.1016/s0031-9422(06)80123-8
Molecular Weight	1909.346 g/mol
Solvent	DMSO-D6
Source File Reference	UWMS24596