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#8;(R,R,S,S)-(2S,3S)-2,5-BIS-(BENZO-[D]-[1,3]-DIOXOL-6-YL)-2-[METHYL-[(4R,5R)-2,2-DIMETHYL-4-PHENYL-1,3-DIOXAN-5-YL]-AMINO]-3-METHYL-5-OXOPENTANENITRILE

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#8;(R,R,S,S)-(2S,3S)-2,5-BIS-(BENZO-[D]-[1,3]-DIOXOL-6-YL)-2-[METHYL-[(4R,5R)-2,2-DIMETHYL-4-PHENYL-1,3-DIOXAN-5-YL]-AMINO]-3-METHYL-5-OXOPENTANENITRILE
SpectraBase Compound ID xQ9YAu9SHy
InChI InChI=1S/C33H34N2O7/c1-21(14-26(36)23-10-12-27-29(15-23)39-19-37-27)33(18-34,24-11-13-28-30(16-24)40-20-38-28)35(4)25-17-41-32(2,3)42-31(25)22-8-6-5-7-9-22/h5-13,15-16,21,25,31H,14,17,19-20H2,1-4H3/t21-,25+,31+,33-/m0/s1
InChIKey XMXRMSZNVWKETG-AMWNAWTESA-N
Mol Weight 570.6 g/mol
Molecular Formula C33H34N2O7
Exact Mass 570.236601 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3muL0uhqEph
Name #8;(R,R,S,S)-(2S,3S)-2,5-BIS-(BENZO-[D]-[1,3]-DIOXOL-6-YL)-2-[METHYL-[(4R,5R)-2,2-DIMETHYL-4-PHENYL-1,3-DIOXAN-5-YL]-AMINO]-3-METHYL-5-OXOPENTANENITRILE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H34N2O7
InChI InChI=1S/C33H34N2O7/c1-21(14-26(36)23-10-12-27-29(15-23)39-19-37-27)33(18-34,24-11-13-28-30(16-24)40-20-38-28)35(4)25-17-41-32(2,3)42-31(25)22-8-6-5-7-9-22/h5-13,15-16,21,25,31H,14,17,19-20H2,1-4H3/t21-,25+,31+,33-/m0/s1
InChIKey XMXRMSZNVWKETG-AMWNAWTESA-N
Literature Reference Author D.ENDERS,M.MILOVANOVIC,E.VOLOSHINA,G.RAABE,J.FLEISCHHAUER
Literature Reference Citation EUR.J.ORG.CHEM.,1984(2005)
Molecular Weight 570.642 g/mol
Sample ID 39203
Solvent CDCl3