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#5;(2S,8S)-2-(TERT.-BUTYLDIPHENYLSILANYLOXYMETHYL)-8-[2-OXO-2-(1,4,7,10,13-PENTAOXA-16-AZA-CYCLOOCTADEC-16-YL)-ETHYLSULFANYLMETHYL]-3,4,6,7,8,9-HEXAHYDRO-2H-PY
SpectraBase Compound ID GL0FEqLfnGB
InChI InChI=1S/C39H60N4O7SSi.ClH/c1-39(2,3)52(35-10-6-4-7-11-35,36-12-8-5-9-13-36)50-30-33-14-16-43-17-15-34(41-38(43)40-33)31-51-32-37(44)42-18-20-45-22-24-47-26-28-49-29-27-48-25-23-46-21-19-42;/h4-13,33-34H,14-32H2,1-3H3,(H,40,41);1H/t33-,34-;/m0./s1
InChIKey DDBVZIJQYPBEOD-GFLYYBHISA-N
Mol Weight 793.5 g/mol
Molecular Formula C39H61ClN4O7SSi
Exact Mass 792.371876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Khjz2eWlGw0
Name #5;(2S,8S)-2-(TERT.-BUTYLDIPHENYLSILANYLOXYMETHYL)-8-[2-OXO-2-(1,4,7,10,13-PENTAOXA-16-AZA-CYCLOOCTADEC-16-YL)-ETHYLSULFANYLMETHYL]-3,4,6,7,8,9-HEXAHYDRO-2H-PY
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H61ClN4O7SSi
InChI InChI=1S/C39H60N4O7SSi.ClH/c1-39(2,3)52(35-10-6-4-7-11-35,36-12-8-5-9-13-36)50-30-33-14-16-43-17-15-34(41-38(43)40-33)31-51-32-37(44)42-18-20-45-22-24-47-26-28-49-29-27-48-25-23-46-21-19-42;/h4-13,33-34H,14-32H2,1-3H3,(H,40,41);1H/t33-,34-;/m0./s1
InChIKey DDBVZIJQYPBEOD-GFLYYBHISA-N
Literature Reference Author P.BRECCIA,M.V.GOOL,R.PEREZ-FERNANDEZ,S.MARTIN-SANTAMARIA,F.G AGO,P.PRADOS,J.D.MEN
Literature Reference Citation J.AM.CHEM.SOC.,125,8270(2003)
Literature Reference DOI 10.1021/ja026860s
Molecular Weight 793.534 g/mol
Sample ID 41744
Solvent CDCl3