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4-((1S)-1-hydroxy-4-((1R,7aS)-3-oxo-1-(triethylsilyloxy)-1H-pyrrolo[1,2-c]imidazol-2(3H,5H,6H,7H,7aH)-yl)-2-(trimethylsilyl)buta-2,3-dienyl)benzonitrile

View entire compound with spectra: 1 MS (GC)

4-((1S)-1-hydroxy-4-((1R,7aS)-3-oxo-1-(triethylsilyloxy)-1H-pyrrolo[1,2-c]imidazol-2(3H,5H,6H,7H,7aH)-yl)-2-(trimethylsilyl)buta-2,3-dienyl)benzonitrile
SpectraBase Compound ID 54E1j1koRzS
InChI InChI=1S/C26H39N3O3Si2/c1-7-34(8-2,9-3)32-25-22-11-10-17-28(22)26(31)29(25)18-16-23(33(4,5)6)24(30)21-14-12-20(19-27)13-15-21/h12-15,18,22,24-25,30H,7-11,17H2,1-6H3/t16?,22-,24-,25+/m0/s1
InChIKey PKUHCJOCRUVEFZ-QEEUHVNCSA-N
Mol Weight 497.8 g/mol
Molecular Formula C26H39N3O3Si2
Exact Mass 497.252995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CsxGWaROOc
Name 4-((1S)-1-hydroxy-4-((1R,7aS)-3-oxo-1-(triethylsilyloxy)-1H-pyrrolo[1,2-c]imidazol-2(3H,5H,6H,7H,7aH)-yl)-2-(trimethylsilyl)buta-2,3-dienyl)benzonitrile
Appearance Viscous yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H39N3O3Si2
InChI InChI=1S/C26H39N3O3Si2/c1-7-34(8-2,9-3)32-25-22-11-10-17-28(22)26(31)29(25)18-16-23(33(4,5)6)24(30)21-14-12-20(19-27)13-15-21/h12-15,18,22,24-25,30H,7-11,17H2,1-6H3/t16?,22-,24-,25+/m0/s1
InChIKey PKUHCJOCRUVEFZ-QEEUHVNCSA-N
Instrument Name Micromass GCT
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000574
Molecular Weight 497.786 g/mol
Optical Rotation [a]D = +83.8 (c = 0.64, acetone)
Reported Formula C26H39N3O3Si2
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)C#N)[H]
SPLASH splash10-0fvi-5975200000-658a6afa4eefef2a27e1
Source of Spectrum ASC-362-4407-epi-19g
Thin-Layer Chromatography Rf = 0.40 (silica gel, EtOAc/hexanes, 30:70)
Wiley ID 1855577