#7;NEWBOULDIOSIDE-B;BETA-(3,4-DIHYDROXYPHENYL)-ETHYL-5-O-SYRINGOYL-BETA-D-APIOFURANOSYLOXY-(1->2)-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-6-O-E-FERULOYL-BETA-D-GLUC

SpectraBase Compound ID	JH0WyZKQOzP
InChI	InChI=1S/C44H54O23/c1-20-32(49)35(52)36(53)41(64-20)66-37-34(51)30(17-61-31(48)10-7-21-6-9-25(46)27(14-21)57-2)65-42(60-12-11-22-5-8-24(45)26(47)13-22)38(37)67-43-39(54)44(56,19-63-43)18-62-40(55)23-15-28(58-3)33(50)29(16-23)59-4/h5-10,13-16,20,30,32,34-39,41-43,45-47,49-54,56H,11-12,17-19H2,1-4H3/b10-7+/t20-,30+,32-,34+,35+,36+,37-,38+,39+,41-,42+,43+,44-/m1/s1
InChIKey	CPPAFPJVCLADDF-RSFYDZRBSA-N Google Search
Mol Weight	950.9 g/mol
Molecular Formula	C44H54O23
Exact Mass	950.305588 g/mol

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SpectraBase Spectrum ID	2KMfOuyQCg8
Name	#7;NEWBOULDIOSIDE-B;BETA-(3,4-DIHYDROXYPHENYL)-ETHYL-5-O-SYRINGOYL-BETA-D-APIOFURANOSYLOXY-(1->2)-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-6-O-E-FERULOYL-BETA-D-GLUC
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C44H54O23
InChI	InChI=1S/C44H54O23/c1-20-32(49)35(52)36(53)41(64-20)66-37-34(51)30(17-61-31(48)10-7-21-6-9-25(46)27(14-21)57-2)65-42(60-12-11-22-5-8-24(45)26(47)13-22)38(37)67-43-39(54)44(56,19-63-43)18-62-40(55)23-15-28(58-3)33(50)29(16-23)59-4/h5-10,13-16,20,30,32,34-39,41-43,45-47,49-54,56H,11-12,17-19H2,1-4H3/b10-7+/t20-,30+,32-,34+,35+,36+,37-,38+,39+,41-,42+,43+,44-/m1/s1
InChIKey	CPPAFPJVCLADDF-RSFYDZRBSA-N
Literature Reference Author	R.GORMANN,M.KALOGA,D.FERREIRA,J.P.J.MARAIS,H.KOLODZIEJ
Literature Reference Citation	PHYTOCHEM.,67,805(2006)
Literature Reference DOI	10.1016/j.phytochem.2006.01.016
Molecular Weight	950.899 g/mol
Sample ID	66177
Solvent	CD3OD