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2,3,4-TRI-O-ACETYL-1-S-METHYLSULFONYL-6-O-(4-METHYLPHENYLSULFONYL)-1-THIO-BETA-D-GLUCOSE
SpectraBase Compound ID EOJUjTc70r1
InChI InChI=1S/C20H26O12S3/c1-11-6-8-15(9-7-11)35(26,27)28-10-16-17(29-12(2)21)18(30-13(3)22)19(31-14(4)23)20(32-16)33-34(5,24)25/h6-9,16-20H,10H2,1-5H3/t16-,17-,18+,19-,20+/m1/s1
InChIKey MFFLPENWUOPMIQ-OBKDMQGPSA-N
Mol Weight 554.6 g/mol
Molecular Formula C20H26O12S3
Exact Mass 554.05864 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G7HOdL6x75h
Name 2,3,4-TRI-O-ACETYL-1-S-METHYLSULFONYL-6-O-(4-METHYLPHENYLSULFONYL)-1-THIO-BETA-D-GLUCOSE
Compound Number 50
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26O12S3
InChI InChI=1S/C20H26O12S3/c1-11-6-8-15(9-7-11)35(26,27)28-10-16-17(29-12(2)21)18(30-13(3)22)19(31-14(4)23)20(32-16)33-34(5,24)25/h6-9,16-20H,10H2,1-5H3/t16-,17-,18+,19-,20+/m1/s1
InChIKey MFFLPENWUOPMIQ-OBKDMQGPSA-N
Literature Reference Author E.D.GODDARD-BORGER,R.V.STICK
Literature Reference Citation AUSTR.J.CHEM.,58,188(2005)
Literature Reference DOI 10.1071/CH04277
Molecular Weight 554.599 g/mol
Sample ID 28951
Solvent Unknown