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#20;METHYL-2-((1E)-3-[(2R,3R,5S,6S)-3-((1S,5R)-5-(TERT.-BUTYLDIPHENYLSILYLOXY)-1-[(METHYLOXYMETHYLOXY)-HEXYL)-5,6-BIS-(4-METHYLOXYPHENYL)-1,4-DIOXAN-2-Y
SpectraBase Compound ID 6kVp8TQPbqD
InChI InChI=1S/C53H64O9Si/c1-38(62-63(53(2,3)4,44-22-11-9-12-23-44)45-24-13-10-14-25-45)19-17-27-47(59-37-55-5)51-48(28-18-21-39-20-15-16-26-46(39)52(54)58-8)60-49(40-29-33-42(56-6)34-30-40)50(61-51)41-31-35-43(57-7)36-32-41/h9-16,18,20-26,29-36,38,47-51H,17,19,27-28,37H2,1-8H3/b21-18+/t38-,47+,48-,49+,50+,51+/m1/s1
InChIKey UCTCSTSFMZYPOH-GENQCNOASA-N
Mol Weight 873.2 g/mol
Molecular Formula C53H64O9Si
Exact Mass 872.43196 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AF18e9xp0xy
Name #20;METHYL-2-((1E)-3-[(2R,3R,5S,6S)-3-((1S,5R)-5-(TERT.-BUTYLDIPHENYLSILYLOXY)-1-[(METHYLOXYMETHYLOXY)-HEXYL)-5,6-BIS-(4-METHYLOXYPHENYL)-1,4-DIOXAN-2-Y
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H64O9Si
InChI InChI=1S/C53H64O9Si/c1-38(62-63(53(2,3)4,44-22-11-9-12-23-44)45-24-13-10-14-25-45)19-17-27-47(59-37-55-5)51-48(28-18-21-39-20-15-16-26-46(39)52(54)58-8)60-49(40-29-33-42(56-6)34-30-40)50(61-51)41-31-35-43(57-7)36-32-41/h9-16,18,20-26,29-36,38,47-51H,17,19,27-28,37H2,1-8H3/b21-18+/t38-,47+,48-,49+,50+,51+/m1/s1
InChIKey UCTCSTSFMZYPOH-GENQCNOASA-N
Literature Reference Author A.S.KHARTULYARI,M.KAPUR,M.E.MAIER
Literature Reference Citation ORG.LETTERS,8,5833(2006)
Literature Reference DOI 10.1021/ol062479r
Molecular Weight 873.171 g/mol
Sample ID 39814
Solvent CDCl3