SYMPLOCOSOSIDE;#6;3-BETA-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-GLUCURONOPYRANOSIDE_BUTYLESTER]-22-ALPHA-O-[(2Z)

SpectraBase Compound ID	6lRymRFHqE9
InChI	InChI=1S/C61H98O21/c1-12-13-23-75-52(74)49-47(80-53-44(69)42(67)35(28-63)77-53)46(71)48(81-54-45(70)43(68)41(66)34(27-62)76-54)55(82-49)79-38-20-21-58(9)36(57(38,7)8)19-22-59(10)37(58)18-17-32-33-25-56(5,6)26-39(61(33,29-64)51(73)50(72)60(32,59)11)78-40(65)24-31(4)16-14-15-30(2)3/h15,17,24,33-39,41-51,53-55,62-64,66-73H,12-14,16,18-23,25-29H2,1-11H3/b31-24-/t33-,34+,35+,36?,37+,38-,39-,41+,42+,43-,44-,45+,46-,47-,48+,49-,50-,51+,53+,54-,55+,58-,59+,60-,61+/m0/s1
InChIKey	KEDJBUGHODJQAX-LIJLOOHXSA-N Google Search
Mol Weight	1167.4 g/mol
Molecular Formula	C61H98O21
Exact Mass	1166.66006 g/mol

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SpectraBase Spectrum ID	LpFRsVwKO1f
Name	SYMPLOCOSOSIDE;#6;3-BETA-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-GLUCURONOPYRANOSIDE_BUTYLESTER]-22-ALPHA-O-[(2Z)
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C61H98O21
InChI	InChI=1S/C61H98O21/c1-12-13-23-75-52(74)49-47(80-53-44(69)42(67)35(28-63)77-53)46(71)48(81-54-45(70)43(68)41(66)34(27-62)76-54)55(82-49)79-38-20-21-58(9)36(57(38,7)8)19-22-59(10)37(58)18-17-32-33-25-56(5,6)26-39(61(33,29-64)51(73)50(72)60(32,59)11)78-40(65)24-31(4)16-14-15-30(2)3/h15,17,24,33-39,41-51,53-55,62-64,66-73H,12-14,16,18-23,25-29H2,1-11H3/b31-24-/t33-,34+,35+,36?,37+,38-,39-,41+,42+,43-,44-,45+,46-,47-,48+,49-,50-,51+,53+,54-,55+,58-,59+,60-,61+/m0/s1
InChIKey	KEDJBUGHODJQAX-LIJLOOHXSA-N
Literature Reference Author	M.TANG,D.SHEN,Y.HU,S.GAO,S.YU
Literature Reference Citation	J.NAT.PROD.,67,1969(2004)
Literature Reference DOI	10.1021/np040013g
Molecular Weight	1167.437 g/mol
Solvent	C5D5N
Source File Reference	UWMZ10413