John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=H17rQma60vc SpectraBase Spectrum ID=2VITgf3Pupi

(accessed ).
DIMETHYL-[1R,2S,R-(S)]-4,5-DIMETHYL-1-[(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-GLUCOPYRANOSYL)-SULFINYL]-CYCLOHEXENE-1,2-DICARBOXYLATE
SpectraBase Compound ID H17rQma60vc
InChI InChI=1S/C26H36O14S/c1-12-9-18(23(31)34-7)26(10-13(12)2,25(32)35-8)41(33)24-22(39-17(6)30)21(38-16(5)29)20(37-15(4)28)19(40-24)11-36-14(3)27/h18-22,24H,9-11H2,1-8H3/t18-,19+,20+,21-,22+,24+,26+,41?/m1/s1
InChIKey ROBIBTPFAUYJAY-JNCVCESBSA-N
Mol Weight 604.6 g/mol
Molecular Formula C26H36O14S
Exact Mass 604.182578 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2VITgf3Pupi
Name DIMETHYL-[1R,2S,R-(S)]-4,5-DIMETHYL-1-[(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-GLUCOPYRANOSYL)-SULFINYL]-CYCLOHEXENE-1,2-DICARBOXYLATE
Compound Number 20R
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H36O14S
InChI InChI=1S/C26H36O14S/c1-12-9-18(23(31)34-7)26(10-13(12)2,25(32)35-8)41(33)24-22(39-17(6)30)21(38-16(5)29)20(37-15(4)28)19(40-24)11-36-14(3)27/h18-22,24H,9-11H2,1-8H3/t18-,19+,20+,21-,22+,24+,26+,41?/m1/s1
InChIKey ROBIBTPFAUYJAY-JNCVCESBSA-N
Literature Reference Author V.AUCAGNE,M.C.AVERSA,A.BARATTUCCI,P.BONACCORSI,P.GIANNETTO,P .ROLLIN,A.TATIBOUET
Literature Reference Citation J.ORG.CHEM.,67,6925(2002)
Literature Reference DOI 10.1021/jo025938k
Molecular Weight 604.623 g/mol
Solvent CDCl3
Source File Reference UWMS25025
SpectraBase Batch ID L98pf3YcRNy