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#6;(2R,8R)-2-[[(NAPHTHALEN-2-YLMETHYL)-CARBAMOYL]-METHYLSULFANYLMETHYL]-8-2-[(2-1,4,7,10,13)-PENTAOXA-16-AZA-CYCLOOCTADEC-16-YL-ACETYLMETHYL)-3,4,6,7,8,9-HEXAH
SpectraBase Compound ID 8cbt8RLgkyk
InChI InChI=1S/C36H53N5O8S.F6P/c42-34(37-24-29-5-6-30-3-1-2-4-31(30)23-29)28-50-27-33-8-10-41-9-7-32(38-36(41)39-33)26-49-35(43)25-40-11-13-44-15-17-46-19-21-48-22-20-47-18-16-45-14-12-40;1-7(2,3,4,5)6/h1-6,23,32-33H,7-22,24-28H2,(H,37,42)(H,38,39);/q;-1/p+1/t32-,33-;/m0./s1
InChIKey AVNMMKQSYILQPL-MLGYITDRSA-O
Mol Weight 861.9 g/mol
Molecular Formula C36H54F6N5O8PS
Exact Mass 861.333491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kx2UYkP55Iy
Name #6;(2R,8R)-2-[[(NAPHTHALEN-2-YLMETHYL)-CARBAMOYL]-METHYLSULFANYLMETHYL]-8-2-[(2-1,4,7,10,13)-PENTAOXA-16-AZA-CYCLOOCTADEC-16-YL-ACETYLMETHYL)-3,4,6,7,8,9-HEXAH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H54F6N5O8PS
InChI InChI=1S/C36H53N5O8S.F6P/c42-34(37-24-29-5-6-30-3-1-2-4-31(30)23-29)28-50-27-33-8-10-41-9-7-32(38-36(41)39-33)26-49-35(43)25-40-11-13-44-15-17-46-19-21-48-22-20-47-18-16-45-14-12-40;1-7(2,3,4,5)6/h1-6,23,32-33H,7-22,24-28H2,(H,37,42)(H,38,39);/q;-1/p+1/t32-,33-;/m0./s1
InChIKey AVNMMKQSYILQPL-MLGYITDRSA-O
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 861.878 g/mol
Sample ID 41747
Solvent ACETONE-D6