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(+-)-1-Deoxy-3,4-O-isopropylidene-6-O-(tert-butyldiphenylsilyl)-allose isomer
SpectraBase Compound ID 22QbUS3tqyy
InChI InChI=1S/C25H36O5Si/c1-18(26)22-23(30-25(5,6)29-22)21(27)17-28-31(24(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-23,26-27H,17H2,1-6H3/t18-,21+,22-,23+/m0/s1
InChIKey NDLNXWOELHAVCX-OUFMZXHOSA-N
Mol Weight 444.6 g/mol
Molecular Formula C25H36O5Si
Exact Mass 444.233201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KBGESIIqsVW
Name (+-)-1-Deoxy-3,4-O-isopropylidene-6-O-(tert-butyldiphenylsilyl)-allose isomer
Alternate Name(s) 6-O-[tert-butyl(diphenyl)silyl]-1-deoxy-3,4-O-(1-methylethylidene)-D-allitol (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-[(1S)-1-oxidanylethyl]-1,3-dioxolan-4-yl]ethanol
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Formula C25H36O5Si
InChI InChI=1S/C25H36O5Si/c1-18(26)22-23(30-25(5,6)29-22)21(27)17-28-31(24(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-23,26-27H,17H2,1-6H3/t18-,21+,22-,23+/m0/s1
InChIKey NDLNXWOELHAVCX-OUFMZXHOSA-N
Molecular Weight 444.643 g/mol
SMILES O[C@]([C@]1([C@@]([C@@](CO[Si](C(C)(C)C)(c2ccccc2)c2ccccc2)(O)[H])(OC(O1)(C)C)[H])[H])(C)[H]
SPLASH splash10-0k97-9830000000-5b705ee2f28863e9e5f6
Source of Spectrum F-55-2167-26
Wiley ID 837018