1,3-BIS-(2,3,4,6-TETRA-O-BENZOYL-ALPHA-D-MANNOPYRANOSYLOXY)-2-(ISOTHIOCYANATOMETHYL)-PROPANE

SpectraBase Compound ID	48TV06H2ffm
InChI	InChI=1S/C73H61NO20S/c75-64(48-25-9-1-10-26-48)83-44-56-58(89-66(77)50-29-13-3-14-30-50)60(91-68(79)52-33-17-5-18-34-52)62(93-70(81)54-37-21-7-22-38-54)72(87-56)85-42-47(41-74-46-95)43-86-73-63(94-71(82)55-39-23-8-24-40-55)61(92-69(80)53-35-19-6-20-36-53)59(90-67(78)51-31-15-4-16-32-51)57(88-73)45-84-65(76)49-27-11-2-12-28-49/h1-40,47,56-63,72-73H,41-45H2/t47?,56-,57+,58-,59+,60+,61-,62+,63-,72+,73-
InChIKey	MPRSTBKKJJQNCZ-DWLUUPNLSA-N Google Search
Mol Weight	1304.3 g/mol
Molecular Formula	C73H61NO20S
Exact Mass	1303.350765 g/mol

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SpectraBase Spectrum ID	2EyXmcv23CK
Name	1,3-BIS-(2,3,4,6-TETRA-O-BENZOYL-ALPHA-D-MANNOPYRANOSYLOXY)-2-(ISOTHIOCYANATOMETHYL)-PROPANE
Compound Number	11
Copyright	Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C73H61NO20S
InChI	InChI=1S/C73H61NO20S/c75-64(48-25-9-1-10-26-48)83-44-56-58(89-66(77)50-29-13-3-14-30-50)60(91-68(79)52-33-17-5-18-34-52)62(93-70(81)54-37-21-7-22-38-54)72(87-56)85-42-47(41-74-46-95)43-86-73-63(94-71(82)55-39-23-8-24-40-55)61(92-69(80)53-35-19-6-20-36-53)59(90-67(78)51-31-15-4-16-32-51)57(88-73)45-84-65(76)49-27-11-2-12-28-49/h1-40,47,56-63,72-73H,41-45H2/t47?,56-,57+,58-,59+,60+,61-,62+,63-,72+,73-
InChIKey	MPRSTBKKJJQNCZ-DWLUUPNLSA-N
Literature Reference Author	M.WALTER,M.WIEGAND,T.K.LINDHORST
Literature Reference Citation	EUR.J.ORG.CHEM.,719(2006)
Molecular Weight	1304.342 g/mol
Sample ID	43191
Solvent	CDCl3