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Methyl (5R,6S,8R)-5-tosyloxy-6-methyl-7-oxo-8-[(tert-butyldimethylsilyl)oxy]-8-phenyloct-2(E)-enoate
SpectraBase Compound ID 6mL8on6xw7U
InChI InChI=1S/C29H40O7SSi/c1-21-17-19-24(20-18-21)37(32,33)35-25(15-12-16-26(30)34-6)22(2)27(31)28(23-13-10-9-11-14-23)36-38(7,8)29(3,4)5/h9-14,16-20,22,25,28H,15H2,1-8H3/b16-12+/t22-,25+,28+/m0/s1
InChIKey XJBNBUTVXXYFPL-VRLLQYMNSA-N
Mol Weight 560.8 g/mol
Molecular Formula C29H40O7SSi
Exact Mass 560.226401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J9JodtL5TMz
Name Methyl (5R,6S,8R)-5-tosyloxy-6-methyl-7-oxo-8-[(tert-butyldimethylsilyl)oxy]-8-phenyloct-2(E)-enoate
Alternate Name(s) (E,5R,6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5-(4-methylphenyl)sulfonyloxy-7-oxo-8-phenyl-2-octenoic acid methyl ester Methyl (E,5R,6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5-(4-methylphenyl)sulfonyloxy-7-oxo-8-phenyloct-2-enoate Methyl (E,5R,6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-7-oxo-8-phenyl-5-(p-tolylsulfonyloxy)oct-2-enoate Methyl (E,5R,6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5-(4-methylphenyl)sulfonyloxy-7-oxidanylidene-8-phenyl-oct-2-enoate
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Formula C29H40O7SSi
InChI InChI=1S/C29H40O7SSi/c1-21-17-19-24(20-18-21)37(32,33)35-25(15-12-16-26(30)34-6)22(2)27(31)28(23-13-10-9-11-14-23)36-38(7,8)29(3,4)5/h9-14,16-20,22,25,28H,15H2,1-8H3/b16-12+/t22-,25+,28+/m0/s1
InChIKey XJBNBUTVXXYFPL-VRLLQYMNSA-N
Molecular Weight 560.777 g/mol
SMILES [C@@](OS(c1ccc(cc1)C)(=O)=O)([C@@](C([C@](O[Si](C(C)(C)C)(C)C)(c1ccccc1)[H])=O)(C)[H])(C\C=C\C(=O)OC)[H]
SPLASH splash10-00di-9270000000-797a555db2cb298e7d67
Source of Spectrum F-56-3347-18
Wiley ID 857082