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(1R,7aS)-2-((4S)-4-(biphenyl-4-yl)-4-hydroxy-3-(trimethylsilyl)buta-1,2-dienyl)-1-(triethylsilyloxy)tetrahydro-1H-pyrrolo[1,2-c]imidazol-3(2H)-one
SpectraBase Compound ID GdzHmSDTz0Z
InChI InChI=1S/C31H44N2O3Si2/c1-7-38(8-2,9-3)36-30-27-16-13-22-32(27)31(35)33(30)23-21-28(37(4,5)6)29(34)26-19-17-25(18-20-26)24-14-11-10-12-15-24/h10-12,14-15,17-20,23,27,29-30,34H,7-9,13,16,22H2,1-6H3/t21?,27-,29-,30+/m0/s1
InChIKey OIXHRVCPWYEPRN-ADUMFITESA-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 3w8YceN1RbJ
Name (1R,7aS)-2-((4S)-4-(biphenyl-4-yl)-4-hydroxy-3-(trimethylsilyl)buta-1,2-dienyl)-1-(triethylsilyloxy)tetrahydro-1H-pyrrolo[1,2-c]imidazol-3(2H)-one
Appearance Viscous colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H44N2O3Si2
InChI InChI=1S/C31H44N2O3Si2/c1-7-38(8-2,9-3)36-30-27-16-13-22-32(27)31(35)33(30)23-21-28(37(4,5)6)29(34)26-19-17-25(18-20-26)24-14-11-10-12-15-24/h10-12,14-15,17-20,23,27,29-30,34H,7-9,13,16,22H2,1-6H3/t21?,27-,29-,30+/m0/s1
InChIKey OIXHRVCPWYEPRN-ADUMFITESA-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 = +128.5 (c = 1.05, acetone)
Reported Formula C31H44N2O3Si2
SMILES O[C@](C(=C=CN1[C@@]([C@]2(N(C1=O)CCC2)[H])(O[Si](CC)(CC)CC)[H])[Si](C)(C)C)(c1ccc(cc1)-c1ccccc1)[H]
SPLASH splash10-015c-1997220000-c4c4ec1d68aad13c4bb9
Source of Spectrum ASC-362-4408-epi-19h
Thin-Layer Chromatography Rf = 0.54 (silica gel, EtOAc/hexanes, 30:70)
Wiley ID 1855578