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(2S)-METHYL-4-[(3S,4R,5R,6R)-4,5-BIS-(BENZYLOXY)-6-(BENZYLOXYMETHYL)-3-HYDROXYTETRAHYDRO-2H-PYRAN-2-YL]-2-(TERT.-BUTOXYCABONYLAMINO)-BUTANOATE

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(2S)-METHYL-4-[(3S,4R,5R,6R)-4,5-BIS-(BENZYLOXY)-6-(BENZYLOXYMETHYL)-3-HYDROXYTETRAHYDRO-2H-PYRAN-2-YL]-2-(TERT.-BUTOXYCABONYLAMINO)-BUTANOATE
SpectraBase Compound ID Cz5aavqW7Wy
InChI InChI=1S/C37H47NO9/c1-37(2,3)47-36(41)38-29(35(40)42-4)20-21-30-32(39)34(45-24-28-18-12-7-13-19-28)33(44-23-27-16-10-6-11-17-27)31(46-30)25-43-22-26-14-8-5-9-15-26/h5-19,29-34,39H,20-25H2,1-4H3,(H,38,41)/t29-,30+,31+,32-,33+,34+/m0/s1
InChIKey YHMVMSMQHJWMSO-JYDMMBCBSA-N
Mol Weight 649.8 g/mol
Molecular Formula C37H47NO9
Exact Mass 649.325082 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4S3Xz28pRHc
Name (2S)-METHYL-4-[(3S,4R,5R,6R)-4,5-BIS-(BENZYLOXY)-6-(BENZYLOXYMETHYL)-3-HYDROXYTETRAHYDRO-2H-PYRAN-2-YL]-2-(TERT.-BUTOXYCABONYLAMINO)-BUTANOATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H47NO9
InChI InChI=1S/C37H47NO9/c1-37(2,3)47-36(41)38-29(35(40)42-4)20-21-30-32(39)34(45-24-28-18-12-7-13-19-28)33(44-23-27-16-10-6-11-17-27)31(46-30)25-43-22-26-14-8-5-9-15-26/h5-19,29-34,39H,20-25H2,1-4H3,(H,38,41)/t29-,30+,31+,32-,33+,34+/m0/s1
InChIKey YHMVMSMQHJWMSO-JYDMMBCBSA-N
Literature Reference Author E.G.NOLEN,A.J.KURISH,J.M.POTTER,L.A.DONAHUE,M.D.ORLANDO
Literature Reference Citation ORG.LETTERS,7,3383(2005)
Literature Reference DOI 10.1021/ol051341q
Molecular Weight 649.781 g/mol
Sample ID 57616
Solvent CDCl3