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(1S)-(1-(OH),2,4/1,3)-2,3,4-TRI-O-BENZYL-1-C-[(BENZYLOXY)-METHYL]-6,6-DICHLORO-5-OXO-1,2,3,4-CYCLOHEXANETETROL
SpectraBase Compound ID CHTDO0dyUxc
InChI InChI=1S/C35H34Cl2O6/c36-35(37)32(38)30(41-22-27-15-7-2-8-16-27)31(42-23-28-17-9-3-10-18-28)33(43-24-29-19-11-4-12-20-29)34(35,39)25-40-21-26-13-5-1-6-14-26/h1-20,30-31,33,39H,21-25H2/t30?,31-,33+,34+/m0/s1
InChIKey LXYIGYMBBYJSFY-FRRVSVOUSA-N
Mol Weight 621.6 g/mol
Molecular Formula C35H34Cl2O6
Exact Mass 620.173244 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 49OOKtwSmw4
Name (1S)-(1-(OH),2,4/1,3)-2,3,4-TRI-O-BENZYL-1-C-[(BENZYLOXY)-METHYL]-6,6-DICHLORO-5-OXO-1,2,3,4-CYCLOHEXANETETROL
CAS Registry Number 116308-18-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H34Cl2O6
InChI InChI=1S/C35H34Cl2O6/c36-35(37)32(38)30(41-22-27-15-7-2-8-16-27)31(42-23-28-17-9-3-10-18-28)33(43-24-29-19-11-4-12-20-29)34(35,39)25-40-21-26-13-5-1-6-14-26/h1-20,30-31,33,39H,21-25H2/t30?,31-,33+,34+/m0/s1
InChIKey LXYIGYMBBYJSFY-FRRVSVOUSA-N
Literature Reference Author H.FUKASE,S.HORII
Literature Reference Citation J.ORG.CHEM.,57,3642(1992)
Literature Reference DOI 10.1021/jo00039a025
Molecular Weight 621.557 g/mol
Solvent CDCl3
Source File Reference UWCS744