VACCARIC-ACID-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-XYLOPYRANOSYL-(1->4)]-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYLESTER

SpectraBase Compound ID	DGAi3Rx6l1C
InChI	InChI=1S/C52H84O21/c1-22-31(56)35(60)41(72-44-38(63)40(71-43-37(62)34(59)33(58)27(20-53)69-43)39(23(2)68-44)70-42-36(61)32(57)26(54)21-66-42)45(67-22)73-46(64)52-17-15-47(3,4)19-25(52)24-9-10-28-48(5)13-12-30(55)51(8,65)29(48)11-14-50(28,7)49(24,6)16-18-52/h9,22-23,25-45,53-63,65H,10-21H2,1-8H3/t22-,23-,25-,26+,27-,28+,29+,30-,31+,32-,33-,34+,35+,36+,37-,38+,39-,40-,41-,42-,43+,44-,45-,48+,49+,50+,51-,52-/m0/s1
InChIKey	HWZPTIXERVONIK-LWMGTPIISA-N Google Search
Mol Weight	1045.2 g/mol
Molecular Formula	C52H84O21
Exact Mass	1044.55051 g/mol

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SpectraBase Spectrum ID	lH5rfKCQ7O
Name	VACCARIC-ACID-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-XYLOPYRANOSYL-(1->4)]-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYLESTER
Compound Number	2
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C52H84O21
InChI	InChI=1S/C52H84O21/c1-22-31(56)35(60)41(72-44-38(63)40(71-43-37(62)34(59)33(58)27(20-53)69-43)39(23(2)68-44)70-42-36(61)32(57)26(54)21-66-42)45(67-22)73-46(64)52-17-15-47(3,4)19-25(52)24-9-10-28-48(5)13-12-30(55)51(8,65)29(48)11-14-50(28,7)49(24,6)16-18-52/h9,22-23,25-45,53-63,65H,10-21H2,1-8H3/t22-,23-,25-,26+,27-,28+,29+,30-,31+,32-,33-,34+,35+,36+,37-,38+,39-,40-,41-,42-,43+,44-,45-,48+,49+,50+,51-,52-/m0/s1
InChIKey	HWZPTIXERVONIK-LWMGTPIISA-N
Literature Reference Author	J.G.LUO,L.Y.KONG,Y.TAKAYA,M.NIWA
Literature Reference Citation	CHEM.PHARM.BULL.,54,1200(2006)
Literature Reference DOI	10.1248/cpb.54.1200
Molecular Weight	1045.226 g/mol
Sample ID	37251
Solvent	C5D5N