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(E,4R,5S)-4,6-Dimethyl-5-(p-methoxybenzyl)oxy]-7-[(1R,3R,4R)-3-methoxy-4-[(triisopropylsilyl)oxy]cyclohexyl]-6-hepten-2-ynyl 1,1,1-trimethylacetate

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

(E,4R,5S)-4,6-Dimethyl-5-(p-methoxybenzyl)oxy]-7-[(1R,3R,4R)-3-methoxy-4-[(triisopropylsilyl)oxy]cyclohexyl]-6-hepten-2-ynyl 1,1,1-trimethylacetate
SpectraBase Compound ID 3JuzCdQFFCA
InChI InChI=1S/C38H62O6Si/c1-26(2)45(27(3)4,28(5)6)44-34-21-18-32(24-35(34)41-13)23-30(8)36(43-25-31-16-19-33(40-12)20-17-31)29(7)15-14-22-42-37(39)38(9,10)11/h16-17,19-20,23,26-29,32,34-36H,18,21-22,24-25H2,1-13H3/b30-23+/t29-,32-,34+,35+,36-/m0/s1
InChIKey POJSBKSSZPLXFM-IOQQOKFBSA-N
Mol Weight 643.0 g/mol
Molecular Formula C38H62O6Si
Exact Mass 642.431566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID UTIOKN26f2
Name (E,4R,5S)-4,6-Dimethyl-5-(p-methoxybenzyl)oxy]-7-[(1R,3R,4R)-3-methoxy-4-[(triisopropylsilyl)oxy]cyclohexyl]-6-hepten-2-ynyl 1,1,1-trimethylacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 642.431566245 u
Formula C38H62O6Si
InChI InChI=1S/C38H62O6Si/c1-26(2)45(27(3)4,28(5)6)44-34-21-18-32(24-35(34)41-13)23-30(8)36(43-25-31-16-19-33(40-12)20-17-31)29(7)15-14-22-42-37(39)38(9,10)11/h16-17,19-20,23,26-29,32,34-36H,18,21-22,24-25H2,1-13H3/b30-23+/t29-,32-,34+,35+,36-/m0/s1
InChIKey POJSBKSSZPLXFM-IOQQOKFBSA-N
Molecular Weight 642.993 g/mol
SMILES [C@@]1(O[Si](C(C)C)(C(C)C)C(C)C)([C@@](C[C@](\C=C\([C@@](OCC2=CC=C(C=C2)OC)([C@](C#CCOC(C(C)(C)C)=O)(C)[H])[H])C)(CC1)[H])(OC)[H])[H]