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6,8-Dioxabicyclo[3.2.1]octane, DL-threo-.alpha.-LD-galacto-octopyranose deriv.
SpectraBase Compound ID HG8ZcAcY81E
InChI InChI=1S/C27H42O9Si/c1-25(2,3)37(8,9)36-21-20(30-23(29)16-13-11-10-12-14-16)19(18-17(15-28)32-26(4,5)33-18)31-24-22(21)34-27(6,7)35-24/h10-14,17-22,24,28H,15H2,1-9H3/t17?,18?,19-,20+,21+,22-,24-/m1/s1
InChIKey WNQNVHYUCZJGMA-DZGIWXGBSA-N
Mol Weight 538.7 g/mol
Molecular Formula C27H42O9Si
Exact Mass 538.259809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TVYdDW9sTO
Name 6,8-Dioxabicyclo[3.2.1]octane, DL-threo-.alpha.-LD-galacto-octopyranose deriv.
Alternate Name(s) DL-threo-.alpha.-LD-galacto-Octopyranose, 3-O-[(1,1-dimethylethyl)dimethylsilyl]-1,2:6,7-bis-O-(1-methylethylidene)-, 4-benzoate (3aR,5R,6S,7S,7aR)-7-[(tert-butyldimethylsilyl)oxy]-5-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-hexahydro-[1,3]dioxolo[4,5-b]pyran-6-yl benzoate
CAS Registry Number 118893-71-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O9Si
InChI InChI=1S/C27H42O9Si/c1-25(2,3)37(8,9)36-21-20(30-23(29)16-13-11-10-12-14-16)19(18-17(15-28)32-26(4,5)33-18)31-24-22(21)34-27(6,7)35-24/h10-14,17-22,24,28H,15H2,1-9H3/t17?,18?,19-,20+,21+,22-,24-/m1/s1
InChIKey WNQNVHYUCZJGMA-DZGIWXGBSA-N
Molecular Weight 538.709 g/mol
SMILES OCC1C([C@@]2([C@@]([C@@]([C@@]3([C@](O2)(OC(O3)(C)C)[H])[H])(O[Si](C(C)(C)C)(C)C)[H])(OC(=O)c2ccccc2)[H])[H])OC(C)(C)O1
SPLASH splash10-056r-0900000000-350aeedcbb8daa32f36b
Source of Spectrum C-111-2201-22
Wiley ID 1404300