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(1R,7aS)-2-((4R)-4-hydroxy-4-(4-methoxyphenyl)-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-((4R)-4-hydroxy-4-(4-methoxyphenyl)-3-(trimethylsilyl)buta-1,2-dienyl)-1-(triethylsilyloxy)tetrahydro-1H-pyrrolo[1,2-c]imidazol-3(2H)-one
SpectraBase Compound ID 7dALo2Pa8Fq
InChI InChI=1S/C26H42N2O4Si2/c1-8-34(9-2,10-3)32-25-22-12-11-18-27(22)26(30)28(25)19-17-23(33(5,6)7)24(29)20-13-15-21(31-4)16-14-20/h13-16,19,22,24-25,29H,8-12,18H2,1-7H3/t17?,22-,24+,25+/m0/s1
InChIKey IHEHZBYKVOKQJT-VGINOWDOSA-N
Mol Weight 502.8 g/mol
Molecular Formula C26H42N2O4Si2
Exact Mass 502.268311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2bAurjV3zUc
Name (1R,7aS)-2-((4R)-4-hydroxy-4-(4-methoxyphenyl)-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 C26H42N2O4Si2
InChI InChI=1S/C26H42N2O4Si2/c1-8-34(9-2,10-3)32-25-22-12-11-18-27(22)26(30)28(25)19-17-23(33(5,6)7)24(29)20-13-15-21(31-4)16-14-20/h13-16,19,22,24-25,29H,8-12,18H2,1-7H3/t17?,22-,24+,25+/m0/s1
InChIKey IHEHZBYKVOKQJT-VGINOWDOSA-N
Instrument Name Micromass GCT
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000574
Molecular Weight 502.802 g/mol
Optical Rotation [a]D = -229.1 (c = 1.40, acetone)
Reported Formula C26H42N2O4Si2
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)OC)[H]
SPLASH splash10-0fy2-2936010000-b9eeba294163c7aa6ef7
Source of Spectrum ASC-362-4406-19f
Thin-Layer Chromatography Rf = 0.26 (silica gel, EtOAc/hexanes, 30:70)
Wiley ID 1855569