#5D;PHENYL-2-O-[3-[5-(4,6-O-BENZYLIDENE-BETA-D-GLUCOPYRANOS-1-YLOXY)-ETHYLAMINOCARBONYL]-PROPINONYL]-3,4,6-TRI-O-BENZYL-1-THIO-BETA-D-GALACTOPYRANOSIDE

SpectraBase Compound ID	CvTdpA8SZPA
InChI	InChI=1S/C52H57NO13S/c54-42(53-28-29-59-51-45(57)44(56)46-41(63-51)34-62-50(66-46)38-22-12-4-13-23-38)26-27-43(55)65-49-48(61-32-37-20-10-3-11-21-37)47(60-31-36-18-8-2-9-19-36)40(33-58-30-35-16-6-1-7-17-35)64-52(49)67-39-24-14-5-15-25-39/h1-25,40-41,44-52,56-57H,26-34H2,(H,53,54)/t40-,41+,44+,45+,46+,47+,48+,49-,50+,51+,52+/m1/s1
InChIKey	SRBHGUHSTYQCHV-CQJNEOLVSA-N Google Search
Mol Weight	936.1 g/mol
Molecular Formula	C52H57NO13S
Exact Mass	935.355062 g/mol

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SpectraBase Spectrum ID	ElN7zBk7c0I
Name	#5D;PHENYL-2-O-[3-[5-(4,6-O-BENZYLIDENE-BETA-D-GLUCOPYRANOS-1-YLOXY)-ETHYLAMINOCARBONYL]-PROPINONYL]-3,4,6-TRI-O-BENZYL-1-THIO-BETA-D-GALACTOPYRANOSIDE
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C52H57NO13S
InChI	InChI=1S/C52H57NO13S/c54-42(53-28-29-59-51-45(57)44(56)46-41(63-51)34-62-50(66-46)38-22-12-4-13-23-38)26-27-43(55)65-49-48(61-32-37-20-10-3-11-21-37)47(60-31-36-18-8-2-9-19-36)40(33-58-30-35-16-6-1-7-17-35)64-52(49)67-39-24-14-5-15-25-39/h1-25,40-41,44-52,56-57H,26-34H2,(H,53,54)/t40-,41+,44+,45+,46+,47+,48+,49-,50+,51+,52+/m1/s1
InChIKey	SRBHGUHSTYQCHV-CQJNEOLVSA-N
Literature Reference Author	P.CLAUDE,C.LEHMANN,T.ZIEGLER
Literature Reference Citation	BEIL.J.ORG.CHEM.,7,1609(2011)
Literature Reference DOI	10.3762/bjoc.7.189
Molecular Weight	936.083 g/mol
Solvent	CDCl3
Source File Reference	UWBT9872