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Glucoheptose, 6TMS
SpectraBase Compound ID 83X7GKzCsMW
InChI InChI=1S/C25H62O7Si6/c1-33(2,3)27-20-22(29-35(7,8)9)24(31-37(13,14)15)25(32-38(16,17)18)23(30-36(10,11)12)21(19-26)28-34(4,5)6/h19,21-25H,20H2,1-18H3
InChIKey BWGFCSYRVRXJPU-UHFFFAOYSA-N
Mol Weight 643.3 g/mol
Molecular Formula C25H62O7Si6
Exact Mass 642.311114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46pCdY3Poja
Name Glucoheptose, 6TMS
Alternate Name(s) Heptose, 6TMS d-Glucoheptose, 6TMS D-Mannoheptose, 6TMS .alpha.-gluco-Heptose, 6TMS glycero-galacto-Heptose, 6TMS d-Glycero-d-ido-heptose, 6TMS 2,3,4,5,6,7-hexahydroxyheptanal, 6TMS 2,3,4,5,6,7-hexakis((trimethylsilyl)oxy)heptanal
Comments Derivatization type: 6 TMS (mass: 642.311); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000503; Note: The molecular formula of the structure shown is C7H14O7 - which differs from the formula reported for the mass spectrum (C25H62O7Si6)
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Formula C25H62O7Si6
InChI InChI=1S/C25H62O7Si6/c1-33(2,3)27-20-22(29-35(7,8)9)24(31-37(13,14)15)25(32-38(16,17)18)23(30-36(10,11)12)21(19-26)28-34(4,5)6/h19,21-25H,20H2,1-18H3
InChIKey BWGFCSYRVRXJPU-UHFFFAOYSA-N
Molecular Weight 643.274 g/mol
SMILES C(C(C(C(C(C(CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)=O
SPLASH splash10-0hft-0920000000-b2460758446e01b34759
Source of Spectrum FM-2019-503-0
Wiley ID 1818187