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RAC-(2-AMINO-6,8-DIOXO-7-PHENYL-1-TRITYL-1,4,5,5A,6,7,8,8A-OCTAHYDRO-IMIDAZO-[4,5-E]-ISOINDOL-5-YLMETHYL)-CARBAMIC-ACID-TERT.-BUTYLESTER

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RAC-(2-AMINO-6,8-DIOXO-7-PHENYL-1-TRITYL-1,4,5,5A,6,7,8,8A-OCTAHYDRO-IMIDAZO-[4,5-E]-ISOINDOL-5-YLMETHYL)-CARBAMIC-ACID-TERT.-BUTYLESTER
SpectraBase Compound ID ENqF1WQcNQL
InChI InChI=1S/C40H39N5O4/c1-39(2,3)49-38(48)42-25-26-24-31-34(33-32(26)35(46)44(36(33)47)30-22-14-7-15-23-30)45(37(41)43-31)40(27-16-8-4-9-17-27,28-18-10-5-11-19-28)29-20-12-6-13-21-29/h4-23,26,32-33H,24-25H2,1-3H3,(H2,41,43)(H,42,48)/t26-,32+,33+/m1/s1
InChIKey RFAGGSWADUOUAP-DJDPXSJISA-N
Mol Weight 653.8 g/mol
Molecular Formula C40H39N5O4
Exact Mass 653.300205 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I6kXCu9ro1J
Name RAC-(2-AMINO-6,8-DIOXO-7-PHENYL-1-TRITYL-1,4,5,5A,6,7,8,8A-OCTAHYDRO-IMIDAZO-[4,5-E]-ISOINDOL-5-YLMETHYL)-CARBAMIC-ACID-TERT.-BUTYLESTER
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H39N5O4
InChI InChI=1S/C40H39N5O4/c1-39(2,3)49-38(48)42-25-26-24-31-34(33-32(26)35(46)44(36(33)47)30-22-14-7-15-23-30)45(37(41)43-31)40(27-16-8-4-9-17-27,28-18-10-5-11-19-28)29-20-12-6-13-21-29/h4-23,26,32-33H,24-25H2,1-3H3,(H2,41,43)(H,42,48)/t26-,32+,33+/m1/s1
InChIKey RFAGGSWADUOUAP-DJDPXSJISA-N
Literature Reference Author C.POEVERLEIN,G.BRECKLE,T.LINDEL
Literature Reference Citation ORG.LETTERS,8,819(2006)
Literature Reference DOI 10.1021/ol0526219
Molecular Weight 653.781 g/mol
Sample ID 39925
Solvent CDCl3