3,4,6-TRI-O-BENZOYL-1,2-O-[ALPHA-(PARA-TOLYLTHIO)BENZYLIDENE]-ALPHA-D-GALACTOPYRANOSE (ISOMER 1)

SpectraBase Compound ID	JJ6oSS7ST6K
InChI	InChI=1S/C41H34O9S/c1-27-22-24-32(25-23-27)51-41(31-20-12-5-13-21-31)49-36-35(48-39(44)30-18-10-4-11-19-30)34(47-38(43)29-16-8-3-9-17-29)33(46-40(36)50-41)26-45-37(42)28-14-6-2-7-15-28/h2-25,33-36,40H,26H2,1H3/t33-,34+,35+,36-,40-,41?/m1/s1
InChIKey	XJDCSLGWWRTZFL-VWNTXMGUSA-N Google Search
Mol Weight	702.8 g/mol
Molecular Formula	C41H34O9S
Exact Mass	702.192354 g/mol

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SpectraBase Spectrum ID	EuTJe6EOR49
Name	3,4,6-TRI-O-BENZOYL-1,2-O-[ALPHA-(PARA-TOLYLTHIO)BENZYLIDENE]-ALPHA-D-GALACTOPYRANOSE (ISOMER 2)
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C41H34O9S
InChI	InChI=1S/C41H34O9S/c1-27-22-24-32(25-23-27)51-41(31-20-12-5-13-21-31)49-36-35(48-39(44)30-18-10-4-11-19-30)34(47-38(43)29-16-8-3-9-17-29)33(46-40(36)50-41)26-45-37(42)28-14-6-2-7-15-28/h2-25,33-36,40H,26H2,1H3/t33-,34+,35+,36-,40-,41?/m1/s1
InChIKey	XJDCSLGWWRTZFL-VWNTXMGUSA-N
Instrument Name	Bruker WM-250
Literature Reference	N.E.NIFANT'EV, L.V.BAKINOVSKY, N.K.KOCHETKOV (1987) Bioorganich.Khim.(Russ.Lang.): v.13, N7, 977-991.
NMR Standard	TMS
Origin	Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent	CDCl3