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(1R,2S,3S,5S)-3,5-Diacetoxy-2-methyl-1-(1,1-dimethylethyl)diphenylsiloxycyclohexane

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1R,2S,3S,5S)-3,5-Diacetoxy-2-methyl-1-(1,1-dimethylethyl)diphenylsiloxycyclohexane
SpectraBase Compound ID 6lF973FLfym
InChI InChI=1S/C27H36O5Si/c1-19-25(31-21(3)29)17-22(30-20(2)28)18-26(19)32-33(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,19,22,25-26H,17-18H2,1-6H3/t19-,22-,25-,26+/m0/s1
InChIKey WEMPGGXCZMNFLO-FBESYSLLSA-N
Mol Weight 468.7 g/mol
Molecular Formula C27H36O5Si
Exact Mass 468.233201 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2cpcyNqpbP2
Name (1R,2S,3S,5S)-3,5-Diacetoxy-2-methyl-1-(1,1-dimethylethyl)diphenylsiloxycyclohexane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.233200789 u
Formula C27H36O5Si
InChI InChI=1S/C27H36O5Si/c1-19-25(31-21(3)29)17-22(30-20(2)28)18-26(19)32-33(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,19,22,25-26H,17-18H2,1-6H3/t19-,22-,25-,26+/m0/s1
InChIKey WEMPGGXCZMNFLO-FBESYSLLSA-N
Molecular Weight 468.665 g/mol
SMILES [C@@]1(O[Si](C(C)(C)C)(C2=CC=CC=C2)C2=CC=CC=C2)([C@]([C@@](OC(=O)C)(C[C@@](C1)(OC(=O)C)[H])[H])(C)[H])[H]