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2-[(2R,3E,7Z,10S)-2-methoxy-12-(4-methoxybenzyl)oxy-11,11-dimethyl-10-triethylsilyloxy-dodeca-3,7-dien-5-ynyl]oxazole-4-carboxylic acid [(1S,3Z,7E,9R)-10-(4-carbomethoxyoxazol-2-yl)-9-methoxy-1-[2-(4-methoxybenzyl)oxy-1,1-dimethyl-ethyl]deca-3,7-dien-5-yn
SpectraBase Compound ID Ccssl5l5XRO
InChI InChI=1S/C61H80N2O13Si/c1-13-77(14-2,15-3)76-55(61(6,7)45-72-41-47-32-36-49(67-9)37-33-47)29-25-21-17-19-23-27-51(69-11)39-57-63-53(43-74-57)59(65)75-54(60(4,5)44-71-40-46-30-34-48(66-8)35-31-46)28-24-20-16-18-22-26-50(68-10)38-56-62-52(42-73-56)58(64)70-12/h20-27,30-37,42-43,50-51,54-55H,13-15,28-29,38-41,44-45H2,1-12H3/b24-20-,25-21-,26-22+,27-23+/t50-,51-,54-,55-/m0/s1
InChIKey RMVMVQXMFSWJFW-BCEAYBPTSA-N
Mol Weight 1077.4 g/mol
Molecular Formula C61H80N2O13Si
Exact Mass 1076.542967 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5685oIntJoB
Name 2-[(2R,3E,7Z,10S)-2-methoxy-12-(4-methoxybenzyl)oxy-11,11-dimethyl-10-triethylsilyloxy-dodeca-3,7-dien-5-ynyl]oxazole-4-carboxylic acid [(1S,3Z,7E,9R)-10-(4-carbomethoxyoxazol-2-yl)-9-methoxy-1-[2-(4-methoxybenzyl)oxy-1,1-dimethyl-ethyl]deca-3,7-dien-5-yn
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C61H80N2O13Si
InChI InChI=1S/C61H80N2O13Si/c1-13-77(14-2,15-3)76-55(61(6,7)45-72-41-47-32-36-49(67-9)37-33-47)29-25-21-17-19-23-27-51(69-11)39-57-63-53(43-74-57)59(65)75-54(60(4,5)44-71-40-46-30-34-48(66-8)35-31-46)28-24-20-16-18-22-26-50(68-10)38-56-62-52(42-73-56)58(64)70-12/h20-27,30-37,42-43,50-51,54-55H,13-15,28-29,38-41,44-45H2,1-12H3/b24-20-,25-21-,26-22+,27-23+/t50-,51-,54-,55-/m0/s1
InChIKey RMVMVQXMFSWJFW-BCEAYBPTSA-N
Literature Reference Author B.NIESS,I.V.HARTUNG,L.O.HAUSTEDT,H.M.R.HOFFMANN
Literature Reference Citation EUR.J.ORG.CHEM.,1132(2006)
Molecular Weight 1077.397 g/mol
Sample ID 31958
Solvent CDCl3