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(5' R)-2-{8'-[(t-Butyldimethylsilyl)oxy]-5',7'-dimethyloctyl}-2-[(4"-(toluene-4-sulfonylmethyl)hexyl]-[1',3']-dioxolane

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(5' R)-2-{8'-[(t-Butyldimethylsilyl)oxy]-5',7'-dimethyloctyl}-2-[(4"-(toluene-4-sulfonylmethyl)hexyl]-[1',3']-dioxolane
SpectraBase Compound ID BGqmNWLHyQM
InChI InChI=1S/C33H60O5SSi/c1-10-30(26-39(34,35)31-18-16-27(2)17-19-31)15-13-21-33(36-22-23-37-33)20-12-11-14-28(3)24-29(4)25-38-40(8,9)32(5,6)7/h16-19,28-30H,10-15,20-26H2,1-9H3/t28-,29?,30?/m1/s1
InChIKey KYRIKARYULGVIL-AYMNYOFFSA-N
Mol Weight 597.0 g/mol
Molecular Formula C33H60O5SSi
Exact Mass 596.393073 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4TfP2BLH1n
Name (5' R)-2-{8'-[(T-butyldimethylsilyl)oxy]-5',7'-dimethyloctyl}-2-[(4''-(toluene-4-sulfonylmethyl)hexyl]-[1',3']-dioxolane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 596.393072736 u
Formula C33H60O5SSi
InChI InChI=1S/C33H60O5SSi/c1-10-30(26-39(34,35)31-18-16-27(2)17-19-31)15-13-21-33(36-22-23-37-33)20-12-11-14-28(3)24-29(4)25-38-40(8,9)32(5,6)7/h16-19,28-30H,10-15,20-26H2,1-9H3/t28-,29?,30?/m1/s1
InChIKey KYRIKARYULGVIL-AYMNYOFFSA-N
Molecular Weight 596.983 g/mol
SMILES C1(S(CC(CCCC2(OCCO2)CCCC[C@](CC(CO[Si](C(C)(C)C)(C)C)C)(C)[H])CC)(=O)=O)=CC=C(C=C1)C