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(1R,7aS)-2-(4-hydroxy-4,4-diphenyl-3-(trimethylsilyl)buta-1,2-dienyl)-1-(triethylsilyloxy)tetrahydro-1H-pyrrolo[1,2-c]imidazol-3(2H)-one

View entire compound with spectra: 1 MS (GC)

(1R,7aS)-2-(4-hydroxy-4,4-diphenyl-3-(trimethylsilyl)buta-1,2-dienyl)-1-(triethylsilyloxy)tetrahydro-1H-pyrrolo[1,2-c]imidazol-3(2H)-one
SpectraBase Compound ID FkfEFtJ7fsI
InChI InChI=1S/C31H44N2O3Si2/c1-7-38(8-2,9-3)36-29-27-21-16-23-32(27)30(34)33(29)24-22-28(37(4,5)6)31(35,25-17-12-10-13-18-25)26-19-14-11-15-20-26/h10-15,17-20,24,27,29,35H,7-9,16,21,23H2,1-6H3/t22?,27-,29+/m0/s1
InChIKey NKSTVRCGRARNNO-PBJPIWIJSA-N
Mol Weight 548.9 g/mol
Molecular Formula C31H44N2O3Si2
Exact Mass 548.289046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LjSyqMcWlu8
Name (1R,7aS)-2-(4-hydroxy-4,4-diphenyl-3-(trimethylsilyl)buta-1,2-dienyl)-1-(triethylsilyloxy)tetrahydro-1H-pyrrolo[1,2-c]imidazol-3(2H)-one
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H44N2O3Si2
InChI InChI=1S/C31H44N2O3Si2/c1-7-38(8-2,9-3)36-29-27-21-16-23-32(27)30(34)33(29)24-22-28(37(4,5)6)31(35,25-17-12-10-13-18-25)26-19-14-11-15-20-26/h10-15,17-20,24,27,29,35H,7-9,16,21,23H2,1-6H3/t22?,27-,29+/m0/s1
InChIKey NKSTVRCGRARNNO-PBJPIWIJSA-N
Instrument Name Micromass GCT
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000574
Molecular Weight 548.874 g/mol
Optical Rotation [a]D = +32.5 (c = 1.07, acetone)
Reported Formula C31H44N2O3Si2
SMILES OC(C(=C=CN1[C@@]([C@]2(N(C1=O)CCC2)[H])(O[Si](CC)(CC)CC)[H])[Si](C)(C)C)(c1ccccc1)c1ccccc1
SPLASH splash10-0as0-3923000000-1d35f70b4e8bf087ff77
Sample Comments dr > 95:5
Source of Spectrum ASC-362-4405-19a
Thin-Layer Chromatography Rf = 0.32 (silica gel, EtOAc/hexanes, 20:80)
Wiley ID 1855564