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TETRA-O-ACETYL-4-O-(4-METHYLPHENYLSULFONYL)-1-O-(TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-SCYLLO-INOSITOL
SpectraBase Compound ID JDGr8p99p9H
InChI InChI=1S/C35H44O21S/c1-15-10-12-24(13-11-15)57(44,45)56-33-31(51-21(7)41)28(49-19(5)39)30(29(50-20(6)40)32(33)52-22(8)42)55-35-34(53-23(9)43)27(48-18(4)38)26(47-17(3)37)25(54-35)14-46-16(2)36/h10-13,25-35H,14H2,1-9H3/t25-,26+,27+,28-,29+,30-,31+,32-,33-,34-,35+/m1/s1
InChIKey KATWKJBCCQOKNE-FLRFUJGUSA-N
Mol Weight 832.8 g/mol
Molecular Formula C35H44O21S
Exact Mass 832.20958 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 246Eqq39JWk
Name TETRA-O-ACETYL-4-O-(4-METHYLPHENYLSULFONYL)-1-O-(TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-SCYLLO-INOSITOL
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H44O21S
InChI InChI=1S/C35H44O21S/c1-15-10-12-24(13-11-15)57(44,45)56-33-31(51-21(7)41)28(49-19(5)39)30(29(50-20(6)40)32(33)52-22(8)42)55-35-34(53-23(9)43)27(48-18(4)38)26(47-17(3)37)25(54-35)14-46-16(2)36/h10-13,25-35H,14H2,1-9H3/t25-,26+,27+,28-,29+,30-,31+,32-,33-,34-,35+/m1/s1
InChIKey KATWKJBCCQOKNE-FLRFUJGUSA-N
Literature Reference Author A.SCAFFIDI,R.V.STICK
Literature Reference Citation AUSTR.J.CHEM.,59,894(2006)
Literature Reference DOI 10.1071/CH06393
Molecular Weight 832.782 g/mol
Sample ID 37711
Solvent Unknown