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[(E)-(1'R,3'R,5'R)-3-[(tert-Butyldimethylsilyl)oxy]-1',5-dihydroxy-4'-[3''-(methoxymethoxy)propylidene]cyclohexyl]methanol
SpectraBase Compound ID GKErqevPt9a
InChI InChI=1S/2C18H36O6Si/c2*1-17(2,3)25(5,6)24-16-11-18(21,12-19)10-15(20)14(16)8-7-9-23-13-22-4/h2*8,15-16,19-21H,7,9-13H2,1-6H3/b2*14-8+/t2*15-,16-,18-/m11/s1
InChIKey PECVTAGPYKEURT-HERBTNHOSA-N
Mol Weight 753.1 g/mol
Molecular Formula C36H72O12Si2
Exact Mass 752.456231 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUFOqeIPpkm
Name [(E)-(1'R,3'R,5'R)-3-[(tert-Butyldimethylsilyl)oxy]-1',5-dihydroxy-4'-[3''-(methoxymethoxy)propylidene]cyclohexyl]methanol
Appearance Colorless oil
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Formula C36H72O12Si2
InChI InChI=1S/2C18H36O6Si/c2*1-17(2,3)25(5,6)24-16-11-18(21,12-19)10-15(20)14(16)8-7-9-23-13-22-4/h2*8,15-16,19-21H,7,9-13H2,1-6H3/b2*14-8+/t2*15-,16-,18-/m11/s1
InChIKey PECVTAGPYKEURT-HERBTNHOSA-N
Ionization Type EI
Molecular Weight 753.130 g/mol
Optical Rotation [a]24D = -59 (c = 1.40, CHCl3)
Reported Formula C18H36O6Si
SMILES O[C@]1(\C([C@@](C[C@@](CO)(C1)O)(O[Si](C)(C)C(C)(C)C)[H])=C\CCOCOC)[H].O[C@]1(\C([C@@](C[C@@](CO)(C1)O)(O[Si](C)(C)C(C)(C)C)[H])=C\CCOCOC)[H]
SPLASH splash10-004i-9010000000-83571387e73c316f8cd7
Source of Spectrum US8188064B2
Wiley ID 1845264