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(-)-1,6-Dideoxy-2,5-di-O benzyl-3,4-O-isopropylidene-1,6-thio-D-mannitol
SpectraBase Compound ID GlQhH22UdkE
InChI InChI=1S/C23H28O4S/c1-23(2)26-21-19(24-13-17-9-5-3-6-10-17)15-28-16-20(22(21)27-23)25-14-18-11-7-4-8-12-18/h3-12,19-22H,13-16H2,1-2H3/t19-,20+,21-,22-/m1/s1
InChIKey DEFWSXYMKAAKMP-CIAFKFPVSA-N
Mol Weight 400.53 g/mol
Molecular Formula C23H28O4S
Exact Mass 400.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9VomFjaGSVS
Name (-)-1,6-Dideoxy-2,5-di-O benzyl-3,4-O-isopropylidene-1,6-thio-D-mannitol
Alternate Name(s) (-)-1,6-Dideoxy-2,5-di-O benzyl-3,4-O-isopropylidene-1,6-thio-D-sorbitol (3aS,4S,8R,8aS)-4,8-Bis-benzyloxy-2,2-dimethyl-hexahydro-thiepino[4,5-d][1,3]dioxole
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Formula C23H28O4S
InChI InChI=1S/C23H28O4S/c1-23(2)26-21-19(24-13-17-9-5-3-6-10-17)15-28-16-20(22(21)27-23)25-14-18-11-7-4-8-12-18/h3-12,19-22H,13-16H2,1-2H3/t19-,20+,21-,22-/m1/s1
InChIKey DEFWSXYMKAAKMP-CIAFKFPVSA-N
Molecular Weight 400.533 g/mol
SMILES [C@@]12([C@](OC(O2)(C)C)([C@](OCc2ccccc2)(CSC[C@@]1(OCc1ccccc1)[H])[H])[H])[H]
SPLASH splash10-0006-9200000000-6d75af80324e5b41f3f8
Source of Spectrum F-56-1229-5
Wiley ID 856041