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[3S,4S]-4-(((tert-Butyldimethylsilyl)oxy)methyl)-3-methyl-7-(trityloxy)-3-(2-(trityloxy)ethyl)heptan-2-one
SpectraBase Compound ID EMdg9kThS5m
InChI InChI=1S/C55H64O4Si/c1-44(56)53(5,40-42-58-55(48-33-20-11-21-34-48,49-35-22-12-23-36-49)50-37-24-13-25-38-50)51(43-59-60(6,7)52(2,3)4)39-26-41-57-54(45-27-14-8-15-28-45,46-29-16-9-17-30-46)47-31-18-10-19-32-47/h8-25,27-38,51H,26,39-43H2,1-7H3/t51-,53-/m1/s1
InChIKey XNWQLJWDWGHFTL-CWKLFTOFSA-N
Mol Weight 817.2 g/mol
Molecular Formula C55H64O4Si
Exact Mass 816.457387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IEw8I5vxUcH
Name [3S,4S]-4-(((tert-Butyldimethylsilyl)oxy)methyl)-3-methyl-7-(trityloxy)-3-(2-(trityloxy)ethyl)heptan-2-one
Alternate Name(s) (3S,4S)-4-{[(tert-butyldimethylsilyl)oxy]methyl}-3-methyl-7-(triphenylmethoxy)-3-[2-(triphenylmethoxy)ethyl]heptan-2-one (3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-7-(triphenylmethyl)oxy-3-[2-(triphenylmethyl)oxyethyl]-2-heptanone (3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-7-(triphenylmethyl)oxy-3-[2-(triphenylmethyl)oxyethyl]heptan-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C55H64O4Si
InChI InChI=1S/C55H64O4Si/c1-44(56)53(5,40-42-58-55(48-33-20-11-21-34-48,49-35-22-12-23-36-49)50-37-24-13-25-38-50)51(43-59-60(6,7)52(2,3)4)39-26-41-57-54(45-27-14-8-15-28-45,46-29-16-9-17-30-46)47-31-18-10-19-32-47/h8-25,27-38,51H,26,39-43H2,1-7H3/t51-,53-/m1/s1
InChIKey XNWQLJWDWGHFTL-CWKLFTOFSA-N
Molecular Weight 817.198 g/mol
SMILES C(c1ccccc1)(c1ccccc1)(c1ccccc1)OCC[C@](C(=O)C)([C@@](CO[Si](C(C)(C)C)(C)C)(CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)[H])C
SPLASH splash10-0006-0090000000-57e6dd4156a5e71b1141
Source of Spectrum C-119-5517-36
Wiley ID 760308