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(1R,2S,3S,4S,5S)-4,5-Di-O-acetyl-3-O-benzyl-5-((benzyloxy)methyl)-1,2-O,O-sulfonylcyclohexane-1,2,3,4,5-pentol
SpectraBase Compound ID 9HOY1ILnE0l
InChI InChI=1S/C25H28O10S/c1-17(26)32-24-23(31-15-20-11-7-4-8-12-20)22-21(34-36(28,29)35-22)13-25(24,33-18(2)27)16-30-14-19-9-5-3-6-10-19/h3-12,21-24H,13-16H2,1-2H3/t21-,22-,23+,24-,25-/m0/s1
InChIKey OVWVOIIFWKTUIR-GIDFYXQGSA-N
Mol Weight 520.55 g/mol
Molecular Formula C25H28O10S
Exact Mass 520.140318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGINGqvFr0n
Name (1R,2S,3S,4S,5S)-4,5-Di-O-acetyl-3-O-benzyl-5-((benzyloxy)methyl)-1,2-O,O-sulfonylcyclohexane-1,2,3,4,5-pentol
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Formula C25H28O10S
InChI InChI=1S/C25H28O10S/c1-17(26)32-24-23(31-15-20-11-7-4-8-12-20)22-21(34-36(28,29)35-22)13-25(24,33-18(2)27)16-30-14-19-9-5-3-6-10-19/h3-12,21-24H,13-16H2,1-2H3/t21-,22-,23+,24-,25-/m0/s1
InChIKey OVWVOIIFWKTUIR-GIDFYXQGSA-N
Molecular Weight 520.549 g/mol
SMILES [C@@]12(OS(O[C@]1(C[C@]([C@]([C@@]2(OCc1ccccc1)[H])(OC(=O)C)[H])(OC(=O)C)COCc1ccccc1)[H])(=O)=O)[H]
SPLASH splash10-0006-9000000000-8d0b7be6ebfff6951ae2
Source of Spectrum J-61-8475-11
Synonyms (1S,2R,3S,4S,5S)-4,5-O-Acetyl-3-O-benzyl-5-((benzyloxy)methyl)-1,2-O-sulfonylcyclohexane-1,2,3,4,5-pentol (3aS,4S,5S,6S,7aS)-6-(acetyloxy)-4-(benzyloxy)-6-[(benzyloxy)methyl]-2,2-dioxidohexahydro-1,3,2-benzodioxathiol-5-yl acetate (3aR,4S,5S,6S,7aS)-6-(acetyloxy)-4-(benzyloxy)-6-[(benzyloxy)methyl]-2,2-dioxidohexahydro-1,3,2-benzodioxathiol-5-yl acetate
Wiley ID 1401913