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conduritol B epoxide, 4TMS
SpectraBase Compound ID B9Ev3Mk8R25
InChI InChI=1S/C18H42O5Si4/c1-24(2,3)20-15-13-14(19-13)16(21-25(4,5)6)18(23-27(10,11)12)17(15)22-26(7,8)9/h13-18H,1-12H3
InChIKey ARRNNASRDVFCEO-UHFFFAOYSA-N
Mol Weight 450.9 g/mol
Molecular Formula C18H42O5Si4
Exact Mass 450.210931 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDQbITyeNqw
Name conduritol B epoxide, 4TMS
Comments Derivatization type: 4 TMS (mass: 450.211); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000633; Note: The molecular formula of the structure shown is C6H10O5 - which differs from the formula reported for the mass spectrum (C18H42O5Si4)
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Formula C18H42O5Si4
InChI InChI=1S/C18H42O5Si4/c1-24(2,3)20-15-13-14(19-13)16(21-25(4,5)6)18(23-27(10,11)12)17(15)22-26(7,8)9/h13-18H,1-12H3
InChIKey ARRNNASRDVFCEO-UHFFFAOYSA-N
Molecular Weight 450.869 g/mol
SMILES C1(C(C(C2C(C1O[Si](C)(C)C)O2)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
SPLASH splash10-0002-0920000000-c8eaade27962fb132567
Source of Spectrum FM-2019-633-0
Synonyms conduritol b epoxide, 4TMS .alpha.-Epoxyconduritol-e, 4TMS 1,2-Anhydro-myo-inositol, 4TMS C5424_SIGMA, 4TMS 1,2-Anhydro-3,4,5,6-alloinositol, 4TMS NSC55556, 4TMS 7-Oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol, 4TMS ((7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrayl)tetrakis(oxy))tetrakis(trimethylsilane)
Wiley ID 1818314