beta-D-glucopyranose, cyclic 2,3,:4,6-bis(4,4',5,5',6,6'-hexahydroxy-[1,1'-biphenyl]-2,2'-dicarboxylate)1-gallate, hexahydrate

SpectraBase Compound ID	INAVnIC1Kwg
InChI	InChI=1S/C41H28O26.6H2O/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54;;;;;;/h1-6,19,33-35,41-56H,7H2;6*1H2/t19-,33-,34+,35-,41+;;;;;;/m1....../s1
InChIKey	JKRPIZWLUPKZNY-PPYMMFSNSA-N Google Search
Mol Weight	1044.739 g/mol
Molecular Formula	C41H40O32
Exact Mass	1044.150269 g/mol

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SpectraBase Spectrum ID	KThhvntNhm0
Name	beta-D-GLUCOPYRANOSE, CYCLIC 2,3:4,6-BIS(4,4',5,5',6,6'-HEXAHYDROXY[1,1'-BIPHENYL]-2,2'-DICARBOXYLATE) 1-GALLATE, HEXAHYDRATE
Source of Sample	T. Okuda, Okayama University, Okayama, Japan
Copyright	Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C41H40O32
InChI	InChI=1S/C41H28O26.6H2O/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54;;;;;;/h1-6,19,33-35,41-56H,7H2;6*1H2/t19-,33-,34+,35-,41+;;;;;;/m1....../s1
InChIKey	JKRPIZWLUPKZNY-PPYMMFSNSA-N
Literature Reference	HETEROCYCLES 16, 1681(1981) Abstract-Chemical Abstracts= 95, 200549J(1981)
Molecular Weight	1044.749 g/mol
Optical Properties	Optical Rotation= (20C) +35 DEG (c=0.2, METHANOL)
Synonyms	CASUARICTIN GLUCOPYRANOSE, B-D-, CYCLIC 2,3:4,6-BIS/4,4,5,5,6,6-HEXAHYDROXY- /1,1-BIPHENYL/-2,2*-DICARBOXYLATE/ 1-GALLATE, HEXAHYDRATE
Technique	KBr WAFER