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(3-S,4-S,5-S,6-R)-3-ACETAMINO-4,5,6-TRIBENZYLOXY-1-(BENZYLOXYMETHYL)-1-CYCLOHEXENE
SpectraBase Compound ID 2EIKO9LJhyi
InChI InChI=1S/C37H39NO5/c1-28(39)38-34-22-33(27-40-23-29-14-6-2-7-15-29)35(41-24-30-16-8-3-9-17-30)37(43-26-32-20-12-5-13-21-32)36(34)42-25-31-18-10-4-11-19-31/h2-22,34-37H,23-27H2,1H3,(H,38,39)/t34-,35+,36-,37-/m0/s1
InChIKey VZILPESJGCCASE-NBRFXYHLSA-N
Mol Weight 577.7 g/mol
Molecular Formula C37H39NO5
Exact Mass 577.282823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kwd8ahUlWeL
Name (3-S,4-S,5-S,6-R)-3-ACETAMINO-4,5,6-TRIBENZYLOXY-1-(BENZYLOXYMETHYL)-1-CYCLOHEXENE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H39NO5
InChI InChI=1S/C37H39NO5/c1-28(39)38-34-22-33(27-40-23-29-14-6-2-7-15-29)35(41-24-30-16-8-3-9-17-30)37(43-26-32-20-12-5-13-21-32)36(34)42-25-31-18-10-4-11-19-31/h2-22,34-37H,23-27H2,1H3,(H,38,39)/t34-,35+,36-,37-/m0/s1
InChIKey VZILPESJGCCASE-NBRFXYHLSA-N
Literature Reference Author K.S.E.TANAKA,G.C.WINTERS,R.J.BATCHELOR,F.W.B.EINSTEIN,A.J.BE NNET
Literature Reference Citation J.AM.CHEM.SOC.,123,998(2001)
Literature Reference DOI 10.1021/ja005746b
Molecular Weight 577.720 g/mol
Solvent C6D5CD3
Source File Reference UWMZ18851