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#36;1,4-ANHYDRO-2,3,5,6-DI-O-ISOPROPYLIDENE-1-[(S)-[(2'R,3'S,4'R,5'R)-2',4'-BENZYLIDENEDIOXY-5',6'-ISOPROPYLIDENEDIOXY-3'-(SULFOOXY)-HEXYL]-SULFONIO]-L-ALLITOL

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#36;1,4-ANHYDRO-2,3,5,6-DI-O-ISOPROPYLIDENE-1-[(S)-[(2'R,3'S,4'R,5'R)-2',4'-BENZYLIDENEDIOXY-5',6'-ISOPROPYLIDENEDIOXY-3'-(SULFOOXY)-HEXYL]-SULFONIO]-L-ALLITOL
SpectraBase Compound ID Hp9XXYgS1t2
InChI InChI=1S/C28H40O12S2/c1-26(2)32-12-17(36-26)21-22(40-42(29,30)31)19(34-25(35-21)16-10-8-7-9-11-16)14-41-15-20-23(39-28(5,6)38-20)24(41)18-13-33-27(3,4)37-18/h7-11,17-25H,12-15H2,1-6H3/t17-,18+,19+,20-,21-,22-,23-,24+,25?,41?/m1/s1
InChIKey PXNNZMBSSNVHJQ-HKDLEDHXSA-N
Mol Weight 632.7 g/mol
Molecular Formula C28H40O12S2
Exact Mass 632.196119 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ZKxcjzELJ4
Name #36;1,4-ANHYDRO-2,3,5,6-DI-O-ISOPROPYLIDENE-1-[(S)-[(2'R,3'S,4'R,5'R)-2',4'-BENZYLIDENEDIOXY-5',6'-ISOPROPYLIDENEDIOXY-3'-(SULFOOXY)-HEXYL]-SULFONIO]-L-ALLITOL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40O12S2
InChI InChI=1S/C28H40O12S2/c1-26(2)32-12-17(36-26)21-22(40-42(29,30)31)19(34-25(35-21)16-10-8-7-9-11-16)14-41-15-20-23(39-28(5,6)38-20)24(41)18-13-33-27(3,4)37-18/h7-11,17-25H,12-15H2,1-6H3/t17-,18+,19+,20-,21-,22-,23-,24+,25?,41?/m1/s1
InChIKey PXNNZMBSSNVHJQ-HKDLEDHXSA-N
Literature Reference Author H.LIU,B.M.PINTO
Literature Reference Citation CAN.J.CHEM.,84,1351(2006)
Literature Reference DOI 10.1139/v06-100
Molecular Weight 632.738 g/mol
Sample ID 46837
Solvent CD2Cl2