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(2'S)-6,6-Dimethyl-3-(2'-ethoxy-1'-phenyl-1'-oxo-2'-ethylsulfanyl)-2-(O-t-butyldimethylsilylhydroxymethyl)bicyclo[3.1.1]heptane

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(2'S)-6,6-Dimethyl-3-(2'-ethoxy-1'-phenyl-1'-oxo-2'-ethylsulfanyl)-2-(O-t-butyldimethylsilylhydroxymethyl)bicyclo[3.1.1]heptane
SpectraBase Compound ID LxBMlmcTNSD
InChI InChI=1S/C26H42O3SSi/c1-9-28-24(23(27)18-13-11-10-12-14-18)30-22-16-19-15-21(26(19,5)6)20(22)17-29-31(7,8)25(2,3)4/h10-14,19-22,24H,9,15-17H2,1-8H3/t19-,20-,21+,22+,24-/m0/s1
InChIKey JQPNFSBCIDTIKH-UQUMJBAASA-N
Mol Weight 462.8 g/mol
Molecular Formula C26H42O3SSi
Exact Mass 462.262393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADBOpW0ZQPI
Name (2'S)-6,6-Dimethyl-3-(2'-ethoxy-1'-phenyl-1'-oxo-2'-ethylsulfanyl)-2-(O-t-butyldimethylsilylhydroxymethyl)bicyclo[3.1.1]heptane
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Formula C26H42O3SSi
InChI InChI=1S/C26H42O3SSi/c1-9-28-24(23(27)18-13-11-10-12-14-18)30-22-16-19-15-21(26(19,5)6)20(22)17-29-31(7,8)25(2,3)4/h10-14,19-22,24H,9,15-17H2,1-8H3/t19-,20-,21+,22+,24-/m0/s1
InChIKey JQPNFSBCIDTIKH-UQUMJBAASA-N
Molecular Weight 462.764 g/mol
SMILES [C@@]12(C(C)(C)[C@@](C2)(C[C@]([C@]1(CO[Si](C(C)(C)C)(C)C)[H])(S[C@@](C(=O)c1ccccc1)(OCC)[H])[H])[H])[H]
SPLASH splash10-0570-7901000000-ae15fd729804c389b282
Source of Spectrum KD-16-1840-8
Synonyms (1S,2R,3S,5R,2'S)-6,6-Dimethyl-3-(2'-ethoxy-1'-phenyl-1'-oxo-2'-ethylsulfanyl)-2-(O-t-butyldimethylsilylhydroxymethyl)bicyclo[3.1.1]heptane (2S)-2-{[2-({[tert-butyl(dimethyl)silyl]oxy}methyl)-6,6-dimethylbicyclo[3.1.1]hept-3-yl]sulfanyl}-2-ethoxy-1-phenylethanone
Wiley ID 1637749