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Methyl 5,6-Dideoxy-1,2-O-isopropylidene-3-O-(S-methylthiocarbonate)-.alpha.,D-xylo-nona-7-enofuranuronate
SpectraBase Compound ID BmIF1AcWasC
InChI InChI=1S/C15H22O6S2/c1-15(2)20-12-11(19-14(22)23-4)9(18-13(12)21-15)7-5-6-8-10(16)17-3/h6,8-9,11-13H,5,7H2,1-4H3/b8-6+
InChIKey PPOISMIJLZOMFB-SOFGYWHQSA-N
Mol Weight 362.46 g/mol
Molecular Formula C15H22O6S2
Exact Mass 362.085781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tY0LfmVGq
Name Methyl 5,6-Dideoxy-1,2-O-isopropylidene-3-O-(S-methylthiocarbonate)-.alpha.,D-xylo-nona-7-enofuranuronate
Alternate Name(s) Methyl (2E)-5-(2,2-dimethyl-6-{[(methylsulfanyl)carbothioyl]oxy}tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-pentenoate
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Formula C15H22O6S2
InChI InChI=1S/C15H22O6S2/c1-15(2)20-12-11(19-14(22)23-4)9(18-13(12)21-15)7-5-6-8-10(16)17-3/h6,8-9,11-13H,5,7H2,1-4H3/b8-6+
InChIKey PPOISMIJLZOMFB-SOFGYWHQSA-N
Molecular Weight 362.455 g/mol
SMILES C12C(OC(O2)(C)C)OC(C1OC(=S)SC)CC\C=C\C(=O)OC
SPLASH splash10-01po-7901000000-2177894bedf2968b46e5
Source of Spectrum F-49-6686-3
Wiley ID 1349290