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ETHYL-2,6-DI-O-(2,6-DIMETHOXYBENZOYL)-3,4-O-ISOPROPYLIDENE-1-THIO-BETA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID JNHcRUxEKr4
InChI InChI=1S/C29H36O11S/c1-8-41-28-25(38-27(31)22-18(34-6)13-10-14-19(22)35-7)24-23(39-29(2,3)40-24)20(37-28)15-36-26(30)21-16(32-4)11-9-12-17(21)33-5/h9-14,20,23-25,28H,8,15H2,1-7H3/t20-,23+,24+,25-,28+/m1/s1
InChIKey PZCYIQQJUSHECS-STROAALWSA-N
Mol Weight 592.7 g/mol
Molecular Formula C29H36O11S
Exact Mass 592.197833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K2tzoDQGS6T
Name ETHYL-2,6-DI-O-(2,6-DIMETHOXYBENZOYL)-3,4-O-ISOPROPYLIDENE-1-THIO-BETA-D-GALACTOPYRANOSIDE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O11S
InChI InChI=1S/C29H36O11S/c1-8-41-28-25(38-27(31)22-18(34-6)13-10-14-19(22)35-7)24-23(39-29(2,3)40-24)20(37-28)15-36-26(30)21-16(32-4)11-9-12-17(21)33-5/h9-14,20,23-25,28H,8,15H2,1-7H3/t20-,23+,24+,25-,28+/m1/s1
InChIKey PZCYIQQJUSHECS-STROAALWSA-N
Literature Reference Author A.BERCES,D.M.WHITFIELD,T.NUKADA,I.Z.D.SANTOS,A.OBUCHOWSKA,J. J.KREPINSKY
Literature Reference Citation CAN.J.CHEM.,82,1157(2004)
Literature Reference DOI 10.1139/v04-059
Molecular Weight 592.658 g/mol
Solvent CDCl3
Source File Reference UWMS28683