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rel-(1S,3aR,7aS)-methyl 1-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]01(S)-methylethyl]-1,2,3,4,5,6,7,7a-octahydro-4(E)-[(2,5-dimethoxyphenyl)methylene]-3aH-indene-1-carboxylate

View entire compound with spectra: 1 MS (GC)

rel-(1S,3aR,7aS)-methyl 1-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]01(S)-methylethyl]-1,2,3,4,5,6,7,7a-octahydro-4(E)-[(2,5-dimethoxyphenyl)methylene]-3aH-indene-1-carboxylate
SpectraBase Compound ID 8xfAkL9Agsa
InChI InChI=1S/C29H46O5Si/c1-20(19-34-35(8,9)28(2,3)4)29(27(30)33-7)16-15-24-21(11-10-12-25(24)29)17-22-18-23(31-5)13-14-26(22)32-6/h13-14,17-18,20,24-25H,10-12,15-16,19H2,1-9H3/b21-17+
InChIKey XESHGTLOTQXKFD-HEHNFIMWSA-N
Mol Weight 502.8 g/mol
Molecular Formula C29H46O5Si
Exact Mass 502.311451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HgB5F5Xl8OR
Name rel-(1S,3aR,7aS)-methyl 1-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]01(S)-methylethyl]-1,2,3,4,5,6,7,7a-octahydro-4(E)-[(2,5-dimethoxyphenyl)methylene]-3aH-indene-1-carboxylate
CAS Registry Number 112946-35-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O5Si
InChI InChI=1S/C29H46O5Si/c1-20(19-34-35(8,9)28(2,3)4)29(27(30)33-7)16-15-24-21(11-10-12-25(24)29)17-22-18-23(31-5)13-14-26(22)32-6/h13-14,17-18,20,24-25H,10-12,15-16,19H2,1-9H3/b21-17+
InChIKey XESHGTLOTQXKFD-HEHNFIMWSA-N
Molecular Weight 502.767 g/mol
SMILES C1(C2C(\C(=C\c3c(ccc(c3)OC)OC)CCC2)CC1)(C(=O)OC)C(CO[Si](C(C)(C)C)(C)C)C
SPLASH splash10-0udi-6905100000-6b4aa869275353d931f8
Source of Spectrum C-111-7516-70
Synonyms Methyl (4E)-1-(2-{[tert-butyl(dimethyl)silyl]oxy}-1-methylethyl)-4-(2,5-dimethoxybenzylidene)octahydro-1H-indene-1-carboxylate
Wiley ID 1399264