METHYL-2,4-DI-O-BENZOYL-3-O-BENZYL-6-O-CHLOROACETYL-BETA-D-GALACTOPYRANOSYL-(1->4)-2,3,6-TRI-O-BENZOYL-ALPHA-D-MANNOPYRANOSIDE

SpectraBase Compound ID	8vk1jDXwmxH
InChI	InChI=1S/C57H51ClO17/c1-65-56-50(74-55(64)41-30-18-7-19-31-41)48(72-53(62)39-26-14-5-15-27-39)46(43(69-56)35-68-51(60)37-22-10-3-11-23-37)75-57-49(73-54(63)40-28-16-6-17-29-40)47(67-33-36-20-8-2-9-21-36)45(42(70-57)34-66-44(59)32-58)71-52(61)38-24-12-4-13-25-38/h2-31,42-43,45-50,56-57H,32-35H2,1H3/t42-,43-,45+,46-,47+,48+,49-,50+,56+,57+/m1/s1
InChIKey	ZIJRHTNZYFYUQB-VXDVWIFNSA-N Google Search
Mol Weight	1043.5 g/mol
Molecular Formula	C57H51ClO17
Exact Mass	1042.281478 g/mol

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SpectraBase Spectrum ID	HnXGauKVIZ6
Name	METHYL-2,4-DI-O-BENZOYL-3-O-BENZYL-6-O-CHLOROACETYL-BETA-D-GALACTOPYRANOSYL-(1->4)-2,3,6-TRI-O-BENZOYL-ALPHA-D-MANNOPYRANOSIDE
Compound Number	18
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C57H51ClO17
InChI	InChI=1S/C57H51ClO17/c1-65-56-50(74-55(64)41-30-18-7-19-31-41)48(72-53(62)39-26-14-5-15-27-39)46(43(69-56)35-68-51(60)37-22-10-3-11-23-37)75-57-49(73-54(63)40-28-16-6-17-29-40)47(67-33-36-20-8-2-9-21-36)45(42(70-57)34-66-44(59)32-58)71-52(61)38-24-12-4-13-25-38/h2-31,42-43,45-50,56-57H,32-35H2,1H3/t42-,43-,45+,46-,47+,48+,49-,50+,56+,57+/m1/s1
InChIKey	ZIJRHTNZYFYUQB-VXDVWIFNSA-N
Literature Reference Author	A.V.NIKOLAEV,G.M.WATT,M.A.J.FERGUSON,J.S.BRIMACOMBE
Literature Reference Citation	J.CHEM.SOC.PERKIN-1,969(1997)
Literature Reference DOI	10.1039/a603800j
Molecular Weight	1043.475 g/mol
Solvent	CDCl3
Source File Reference	UWRU9780